USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 766 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 802 THR OG1 : rot -89:sc= 2.21 USER MOD Set 1.2: A 804 CYS SG : rot 76:sc= 1.32 USER MOD Set 2.1: A 754 THR OG1 : rot 76:sc= 0.223 USER MOD Set 2.2: A 797 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 748 GLN : amide:sc= -0.367 K(o=0.28,f=-1.4) USER MOD Set 3.2: A 776 ASN : amide:sc= 0.643 K(o=0.28,f=-1.6) USER MOD Single : A 720 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 722 SER OG : rot 140:sc= -0.784! USER MOD Single : A 724 SER OG : rot 180:sc= 0 USER MOD Single : A 726 LYS NZ :NH3+ -159:sc= 1.3 (180deg=1.13) USER MOD Single : A 728 HIS : no HD1:sc= -0.0041 X(o=-0.0041,f=-0.32) USER MOD Single : A 729 HIS : no HE2:sc= 0.0554 K(o=0.055,f=-1.2) USER MOD Single : A 732 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.105) USER MOD Single : A 734 CYS SG : rot -35:sc= 1.11 USER MOD Single : A 738 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 739 SER OG : rot 104:sc= -0.876 USER MOD Single : A 740 SER OG : rot 180:sc= 0 USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 752 THR OG1 : rot 180:sc= 0 USER MOD Single : A 755 TYR OH : rot -39:sc= 0.335 USER MOD Single : A 760 THR OG1 : rot -6:sc= 0.905 USER MOD Single : A 766 LYS NZ :NH3+ -167:sc= 1.22 (180deg=1.01) USER MOD Single : A 767 THR OG1 : rot -15:sc= 1.28 USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 774 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 775 THR OG1 : rot 180:sc= 0 USER MOD Single : A 778 TYR OH : rot 180:sc= 0 USER MOD Single : A 781 LYS NZ :NH3+ 158:sc= -0.074 (180deg=-0.478) USER MOD Single : A 782 THR OG1 : rot 172:sc= -4.83! USER MOD Single : A 786 THR OG1 : rot 180:sc= 0.00628 USER MOD Single : A 787 THR OG1 : rot 180:sc= -0.433 USER MOD Single : A 791 TYR OH : rot -140:sc= 1.13 USER MOD Single : A 794 SER OG : rot 180:sc= -0.503 USER MOD Single : A 799 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 801 SER OG : rot -37:sc= -0.561 USER MOD Single : A 809 SER OG : rot 180:sc= -0.0215 USER MOD Single : A 810 GLN : amide:sc= -1.77 K(o=-1.8,f=-4.7!) USER MOD Single : A 814 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 816 GLN : amide:sc= 0.251 K(o=0.25,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 720 -16.500 1.949 -6.318 1.00 0.00 N ATOM 42 CA LYS A 720 -15.295 1.153 -6.391 1.00 0.00 C ATOM 43 C LYS A 720 -14.351 1.536 -5.265 1.00 0.00 C ATOM 44 O LYS A 720 -13.792 2.633 -5.262 1.00 0.00 O ATOM 45 CB LYS A 720 -14.584 1.329 -7.728 1.00 0.00 C ATOM 46 CG LYS A 720 -15.339 0.767 -8.922 1.00 0.00 C ATOM 47 CD LYS A 720 -14.541 0.935 -10.208 1.00 0.00 C ATOM 48 CE LYS A 720 -13.181 0.255 -10.114 1.00 0.00 C ATOM 49 NZ LYS A 720 -12.358 0.468 -11.332 1.00 0.00 N ATOM 0 HA LYS A 720 -15.585 0.107 -6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -14.407 2.392 -7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -13.608 0.848 -7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -15.550 -0.290 -8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -16.300 1.273 -9.019 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -15.102 0.515 -11.043 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -14.405 1.996 -10.417 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -12.645 0.638 -9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -13.322 -0.814 -9.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -11.443 -0.013 -11.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -12.855 0.080 -12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -12.199 1.487 -11.470 1.00 0.00 H new ATOM 63 N PRO A 721 -14.170 0.645 -4.287 1.00 0.00 N ATOM 64 CA PRO A 721 -13.260 0.873 -3.183 1.00 0.00 C ATOM 65 C PRO A 721 -11.851 0.429 -3.544 1.00 0.00 C ATOM 66 O PRO A 721 -11.675 -0.511 -4.321 1.00 0.00 O ATOM 67 CB PRO A 721 -13.849 0.014 -2.062 1.00 0.00 C ATOM 68 CG PRO A 721 -14.681 -1.040 -2.733 1.00 0.00 C ATOM 69 CD PRO A 721 -14.821 -0.669 -4.190 1.00 0.00 C ATOM 0 HA PRO A 721 -13.170 1.923 -2.906 1.00 0.00 H new ATOM 0 HB2 PRO A 721 -13.059 -0.438 -1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 721 -14.456 0.618 -1.387 1.00 0.00 H new ATOM 0 HG2 PRO A 721 -14.210 -2.018 -2.633 1.00 0.00 H new ATOM 0 HG3 PRO A 721 -15.661 -1.108 -2.262 1.00 0.00 H new ATOM 0 HD2 PRO A 721 -14.339 -1.402 -4.837 1.00 0.00 H new ATOM 0 HD3 PRO A 721 -15.868 -0.619 -4.490 1.00 0.00 H new ATOM 77 N SER A 722 -10.855 1.098 -2.983 1.00 0.00 N ATOM 78 CA SER A 722 -9.473 0.884 -3.383 1.00 0.00 C ATOM 79 C SER A 722 -8.556 1.767 -2.547 1.00 0.00 C ATOM 80 O SER A 722 -8.897 2.131 -1.423 1.00 0.00 O ATOM 81 CB SER A 722 -9.322 1.212 -4.877 1.00 0.00 C ATOM 82 OG SER A 722 -8.101 0.721 -5.404 1.00 0.00 O ATOM 0 H SER A 722 -10.979 1.795 -2.248 1.00 0.00 H new ATOM 0 HA SER A 722 -9.196 -0.157 -3.219 1.00 0.00 H new ATOM 0 HB2 SER A 722 -10.156 0.780 -5.430 1.00 0.00 H new ATOM 0 HB3 SER A 722 -9.371 2.292 -5.019 1.00 0.00 H new ATOM 0 HG SER A 722 -8.255 0.355 -6.300 1.00 0.00 H new ATOM 88 N ALA A 723 -7.392 2.095 -3.084 1.00 0.00 N ATOM 89 CA ALA A 723 -6.477 2.995 -2.410 1.00 0.00 C ATOM 90 C ALA A 723 -5.630 3.758 -3.417 1.00 0.00 C ATOM 91 O ALA A 723 -5.155 3.195 -4.392 1.00 0.00 O ATOM 92 CB ALA A 723 -5.596 2.222 -1.452 1.00 0.00 C ATOM 0 H ALA A 723 -7.061 1.750 -3.985 1.00 0.00 H new ATOM 0 HA ALA A 723 -7.061 3.719 -1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 723 -4.913 2.908 -0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 723 -6.217 1.722 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 723 -5.022 1.478 -2.005 1.00 0.00 H new ATOM 98 N SER A 724 -5.398 5.027 -3.161 1.00 0.00 N ATOM 99 CA SER A 724 -4.709 5.869 -4.117 1.00 0.00 C ATOM 100 C SER A 724 -3.569 6.569 -3.411 1.00 0.00 C ATOM 101 O SER A 724 -3.772 7.556 -2.694 1.00 0.00 O ATOM 102 CB SER A 724 -5.682 6.882 -4.732 1.00 0.00 C ATOM 103 OG SER A 724 -5.044 7.711 -5.692 1.00 0.00 O ATOM 0 H SER A 724 -5.676 5.499 -2.300 1.00 0.00 H new ATOM 0 HA SER A 724 -4.310 5.262 -4.930 1.00 0.00 H new ATOM 0 HB2 SER A 724 -6.509 6.351 -5.203 1.00 0.00 H new ATOM 0 HB3 SER A 724 -6.108 7.501 -3.943 1.00 0.00 H new ATOM 0 HG SER A 724 -5.695 8.342 -6.063 1.00 0.00 H new ATOM 109 N LEU A 725 -2.372 6.033 -3.579 1.00 0.00 N ATOM 110 CA LEU A 725 -1.234 6.512 -2.844 1.00 0.00 C ATOM 111 C LEU A 725 -0.909 7.949 -3.235 1.00 0.00 C ATOM 112 O LEU A 725 -1.069 8.348 -4.388 1.00 0.00 O ATOM 113 CB LEU A 725 -0.021 5.627 -3.092 1.00 0.00 C ATOM 114 CG LEU A 725 -0.293 4.139 -3.359 1.00 0.00 C ATOM 115 CD1 LEU A 725 1.013 3.397 -3.376 1.00 0.00 C ATOM 116 CD2 LEU A 725 -1.225 3.520 -2.331 1.00 0.00 C ATOM 0 H LEU A 725 -2.172 5.266 -4.221 1.00 0.00 H new ATOM 0 HA LEU A 725 -1.483 6.480 -1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 725 0.526 6.031 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.637 5.702 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 725 -0.792 4.061 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 725 0.828 2.340 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 725 1.650 3.800 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 725 1.509 3.512 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 725 -1.382 2.468 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 725 -0.781 3.605 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 725 -2.182 4.042 -2.346 1.00 0.00 H new ATOM 128 N LYS A 726 -0.433 8.703 -2.271 1.00 0.00 N ATOM 129 CA LYS A 726 -0.179 10.126 -2.446 1.00 0.00 C ATOM 130 C LYS A 726 1.313 10.385 -2.603 1.00 0.00 C ATOM 131 O LYS A 726 1.734 11.490 -2.937 1.00 0.00 O ATOM 132 CB LYS A 726 -0.722 10.894 -1.252 1.00 0.00 C ATOM 133 CG LYS A 726 -2.103 10.431 -0.840 1.00 0.00 C ATOM 134 CD LYS A 726 -2.737 11.366 0.164 1.00 0.00 C ATOM 135 CE LYS A 726 -3.146 12.664 -0.496 1.00 0.00 C ATOM 136 NZ LYS A 726 -3.853 13.562 0.454 1.00 0.00 N ATOM 0 H LYS A 726 -0.209 8.352 -1.340 1.00 0.00 H new ATOM 0 HA LYS A 726 -0.684 10.466 -3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 726 -0.039 10.780 -0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 726 -0.756 11.956 -1.493 1.00 0.00 H new ATOM 0 HG2 LYS A 726 -2.740 10.360 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 726 -2.038 9.430 -0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 726 -3.609 10.889 0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 726 -2.035 11.569 0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 726 -2.262 13.169 -0.886 1.00 0.00 H new ATOM 0 HE3 LYS A 726 -3.793 12.452 -1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 -4.419 14.254 -0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 -4.479 12.998 1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 -3.157 14.063 1.042 1.00 0.00 H new ATOM 150 N LEU A 727 2.109 9.357 -2.340 1.00 0.00 N ATOM 151 CA LEU A 727 3.547 9.435 -2.536 1.00 0.00 C ATOM 152 C LEU A 727 3.827 9.372 -4.039 1.00 0.00 C ATOM 153 O LEU A 727 3.632 8.333 -4.669 1.00 0.00 O ATOM 154 CB LEU A 727 4.234 8.280 -1.786 1.00 0.00 C ATOM 155 CG LEU A 727 5.685 8.514 -1.342 1.00 0.00 C ATOM 156 CD1 LEU A 727 6.611 8.554 -2.536 1.00 0.00 C ATOM 157 CD2 LEU A 727 5.807 9.793 -0.527 1.00 0.00 C ATOM 0 H LEU A 727 1.780 8.457 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 727 3.945 10.369 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 727 3.641 8.048 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 727 4.212 7.398 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 727 5.980 7.679 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 727 7.634 8.721 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 727 6.556 7.606 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 727 6.312 9.364 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 727 6.845 9.935 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 727 5.486 10.641 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 727 5.178 9.720 0.360 1.00 0.00 H new ATOM 169 N HIS A 728 4.260 10.490 -4.613 1.00 0.00 N ATOM 170 CA HIS A 728 4.350 10.624 -6.070 1.00 0.00 C ATOM 171 C HIS A 728 5.786 10.553 -6.582 1.00 0.00 C ATOM 172 O HIS A 728 6.148 11.268 -7.518 1.00 0.00 O ATOM 173 CB HIS A 728 3.733 11.952 -6.521 1.00 0.00 C ATOM 174 CG HIS A 728 2.251 12.043 -6.332 1.00 0.00 C ATOM 175 ND1 HIS A 728 1.658 12.946 -5.480 1.00 0.00 N ATOM 176 CD2 HIS A 728 1.240 11.353 -6.908 1.00 0.00 C ATOM 177 CE1 HIS A 728 0.349 12.808 -5.539 1.00 0.00 C ATOM 178 NE2 HIS A 728 0.066 11.849 -6.398 1.00 0.00 N ATOM 0 H HIS A 728 4.555 11.318 -4.095 1.00 0.00 H new ATOM 0 HA HIS A 728 3.799 9.782 -6.490 1.00 0.00 H new ATOM 0 HB2 HIS A 728 4.207 12.764 -5.970 1.00 0.00 H new ATOM 0 HB3 HIS A 728 3.962 12.105 -7.576 1.00 0.00 H new ATOM 0 HD2 HIS A 728 1.338 10.560 -7.634 1.00 0.00 H new ATOM 0 HE1 HIS A 728 -0.372 13.384 -4.978 1.00 0.00 H new ATOM 0 HE2 HIS A 728 -0.871 11.528 -6.643 1.00 0.00 H new ATOM 187 N HIS A 729 6.603 9.696 -5.989 1.00 0.00 N ATOM 188 CA HIS A 729 7.992 9.550 -6.418 1.00 0.00 C ATOM 189 C HIS A 729 8.641 8.342 -5.767 1.00 0.00 C ATOM 190 O HIS A 729 7.985 7.584 -5.055 1.00 0.00 O ATOM 191 CB HIS A 729 8.823 10.810 -6.120 1.00 0.00 C ATOM 192 CG HIS A 729 8.762 11.268 -4.696 1.00 0.00 C ATOM 193 ND1 HIS A 729 9.795 11.116 -3.797 1.00 0.00 N ATOM 194 CD2 HIS A 729 7.779 11.906 -4.032 1.00 0.00 C ATOM 195 CE1 HIS A 729 9.445 11.644 -2.639 1.00 0.00 C ATOM 196 NE2 HIS A 729 8.223 12.133 -2.754 1.00 0.00 N ATOM 0 H HIS A 729 6.333 9.092 -5.213 1.00 0.00 H new ATOM 0 HA HIS A 729 7.972 9.405 -7.498 1.00 0.00 H new ATOM 0 HB2 HIS A 729 9.863 10.615 -6.382 1.00 0.00 H new ATOM 0 HB3 HIS A 729 8.478 11.619 -6.764 1.00 0.00 H new ATOM 0 HD1 HIS A 729 10.689 10.666 -3.995 1.00 0.00 H new ATOM 0 HD2 HIS A 729 6.816 12.188 -4.433 1.00 0.00 H new ATOM 0 HE1 HIS A 729 10.055 11.672 -1.748 1.00 0.00 H new ATOM 205 N ASP A 730 9.921 8.157 -6.043 1.00 0.00 N ATOM 206 CA ASP A 730 10.709 7.128 -5.385 1.00 0.00 C ATOM 207 C ASP A 730 10.853 7.451 -3.906 1.00 0.00 C ATOM 208 O ASP A 730 11.062 8.604 -3.524 1.00 0.00 O ATOM 209 CB ASP A 730 12.092 7.013 -6.033 1.00 0.00 C ATOM 210 CG ASP A 730 12.869 8.318 -5.994 1.00 0.00 C ATOM 211 OD1 ASP A 730 12.664 9.163 -6.896 1.00 0.00 O ATOM 212 OD2 ASP A 730 13.683 8.512 -5.066 1.00 0.00 O ATOM 0 H ASP A 730 10.440 8.711 -6.724 1.00 0.00 H new ATOM 0 HA ASP A 730 10.194 6.173 -5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 730 12.665 6.239 -5.522 1.00 0.00 H new ATOM 0 HB3 ASP A 730 11.978 6.694 -7.069 1.00 0.00 H new ATOM 217 N LEU A 731 10.705 6.438 -3.080 1.00 0.00 N ATOM 218 CA LEU A 731 10.841 6.597 -1.649 1.00 0.00 C ATOM 219 C LEU A 731 12.187 6.057 -1.192 1.00 0.00 C ATOM 220 O LEU A 731 12.361 4.853 -1.040 1.00 0.00 O ATOM 221 CB LEU A 731 9.704 5.866 -0.949 1.00 0.00 C ATOM 222 CG LEU A 731 9.656 6.059 0.554 1.00 0.00 C ATOM 223 CD1 LEU A 731 9.535 7.531 0.915 1.00 0.00 C ATOM 224 CD2 LEU A 731 8.515 5.267 1.157 1.00 0.00 C ATOM 0 H LEU A 731 10.488 5.487 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 731 10.792 7.655 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 731 8.758 6.201 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 731 9.790 4.800 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 731 10.593 5.688 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 731 9.503 7.638 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 731 10.395 8.074 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 731 8.621 7.938 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 731 8.497 5.419 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 731 7.571 5.604 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 731 8.654 4.208 0.942 1.00 0.00 H new ATOM 236 N LYS A 732 13.139 6.953 -0.980 1.00 0.00 N ATOM 237 CA LYS A 732 14.493 6.547 -0.637 1.00 0.00 C ATOM 238 C LYS A 732 14.619 6.153 0.830 1.00 0.00 C ATOM 239 O LYS A 732 14.281 6.921 1.734 1.00 0.00 O ATOM 240 CB LYS A 732 15.495 7.647 -0.987 1.00 0.00 C ATOM 241 CG LYS A 732 15.744 7.789 -2.482 1.00 0.00 C ATOM 242 CD LYS A 732 16.318 6.509 -3.070 1.00 0.00 C ATOM 243 CE LYS A 732 16.627 6.645 -4.553 1.00 0.00 C ATOM 244 NZ LYS A 732 17.708 7.636 -4.813 1.00 0.00 N ATOM 0 H LYS A 732 13.000 7.962 -1.039 1.00 0.00 H new ATOM 0 HA LYS A 732 14.723 5.663 -1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 732 15.131 8.597 -0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 732 16.441 7.438 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 732 14.810 8.037 -2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 732 16.432 8.615 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 732 17.229 6.242 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 732 15.610 5.694 -2.922 1.00 0.00 H new ATOM 0 HE2 LYS A 732 16.922 5.674 -4.951 1.00 0.00 H new ATOM 0 HE3 LYS A 732 15.724 6.946 -5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 18.015 7.563 -5.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 17.351 8.595 -4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 18.515 7.442 -4.186 1.00 0.00 H new ATOM 258 N LEU A 733 15.099 4.938 1.036 1.00 0.00 N ATOM 259 CA LEU A 733 15.342 4.382 2.358 1.00 0.00 C ATOM 260 C LEU A 733 16.810 4.022 2.500 1.00 0.00 C ATOM 261 O LEU A 733 17.540 3.963 1.511 1.00 0.00 O ATOM 262 CB LEU A 733 14.509 3.114 2.569 1.00 0.00 C ATOM 263 CG LEU A 733 13.166 3.284 3.275 1.00 0.00 C ATOM 264 CD1 LEU A 733 12.248 4.162 2.478 1.00 0.00 C ATOM 265 CD2 LEU A 733 12.533 1.932 3.545 1.00 0.00 C ATOM 0 H LEU A 733 15.335 4.299 0.277 1.00 0.00 H new ATOM 0 HA LEU A 733 15.062 5.130 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 733 14.326 2.661 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 733 15.107 2.406 3.142 1.00 0.00 H new ATOM 0 HG LEU A 733 13.342 3.774 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 733 11.298 4.267 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 733 12.703 5.144 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 733 12.074 3.714 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 733 11.577 2.072 4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 733 12.373 1.410 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 733 13.194 1.341 4.179 1.00 0.00 H new ATOM 277 N CYS A 734 17.235 3.796 3.724 1.00 0.00 N ATOM 278 CA CYS A 734 18.560 3.258 3.980 1.00 0.00 C ATOM 279 C CYS A 734 18.442 1.937 4.724 1.00 0.00 C ATOM 280 O CYS A 734 17.335 1.463 4.988 1.00 0.00 O ATOM 281 CB CYS A 734 19.423 4.248 4.773 1.00 0.00 C ATOM 282 SG CYS A 734 18.839 4.585 6.450 1.00 0.00 S ATOM 0 H CYS A 734 16.683 3.976 4.562 1.00 0.00 H new ATOM 0 HA CYS A 734 19.053 3.089 3.023 1.00 0.00 H new ATOM 0 HB2 CYS A 734 20.440 3.859 4.828 1.00 0.00 H new ATOM 0 HB3 CYS A 734 19.471 5.188 4.224 1.00 0.00 H new ATOM 0 HG CYS A 734 17.539 4.570 6.468 1.00 0.00 H new ATOM 288 N LEU A 735 19.576 1.338 5.038 1.00 0.00 N ATOM 289 CA LEU A 735 19.608 0.064 5.732 1.00 0.00 C ATOM 290 C LEU A 735 18.871 0.167 7.064 1.00 0.00 C ATOM 291 O LEU A 735 19.262 0.931 7.946 1.00 0.00 O ATOM 292 CB LEU A 735 21.052 -0.342 5.962 1.00 0.00 C ATOM 293 CG LEU A 735 21.340 -1.842 6.114 1.00 0.00 C ATOM 294 CD1 LEU A 735 22.832 -2.066 6.247 1.00 0.00 C ATOM 295 CD2 LEU A 735 20.618 -2.434 7.308 1.00 0.00 C ATOM 0 H LEU A 735 20.497 1.719 4.820 1.00 0.00 H new ATOM 0 HA LEU A 735 19.111 -0.691 5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 735 21.646 0.034 5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 735 21.407 0.163 6.860 1.00 0.00 H new ATOM 0 HG LEU A 735 20.971 -2.347 5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 735 23.032 -3.132 6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 735 23.337 -1.690 5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 735 23.202 -1.537 7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 735 20.847 -3.497 7.381 1.00 0.00 H new ATOM 0 HD22 LEU A 735 20.944 -1.929 8.217 1.00 0.00 H new ATOM 0 HD23 LEU A 735 19.543 -2.302 7.185 1.00 0.00 H new ATOM 307 N GLY A 736 17.793 -0.588 7.188 1.00 0.00 N ATOM 308 CA GLY A 736 17.066 -0.629 8.444 1.00 0.00 C ATOM 309 C GLY A 736 15.955 0.395 8.502 1.00 0.00 C ATOM 310 O GLY A 736 15.288 0.543 9.527 1.00 0.00 O ATOM 0 H GLY A 736 17.407 -1.172 6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 736 16.646 -1.625 8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 736 17.759 -0.456 9.267 1.00 0.00 H new ATOM 314 N ASP A 737 15.764 1.111 7.407 1.00 0.00 N ATOM 315 CA ASP A 737 14.693 2.103 7.320 1.00 0.00 C ATOM 316 C ASP A 737 13.330 1.432 7.213 1.00 0.00 C ATOM 317 O ASP A 737 13.224 0.278 6.808 1.00 0.00 O ATOM 318 CB ASP A 737 14.883 2.998 6.097 1.00 0.00 C ATOM 319 CG ASP A 737 14.935 4.470 6.448 1.00 0.00 C ATOM 320 OD1 ASP A 737 16.033 5.055 6.407 1.00 0.00 O ATOM 321 OD2 ASP A 737 13.878 5.055 6.760 1.00 0.00 O ATOM 0 H ASP A 737 16.333 1.028 6.564 1.00 0.00 H new ATOM 0 HA ASP A 737 14.736 2.701 8.230 1.00 0.00 H new ATOM 0 HB2 ASP A 737 15.805 2.718 5.588 1.00 0.00 H new ATOM 0 HB3 ASP A 737 14.066 2.825 5.396 1.00 0.00 H new ATOM 326 N HIS A 738 12.289 2.163 7.570 1.00 0.00 N ATOM 327 CA HIS A 738 10.925 1.724 7.347 1.00 0.00 C ATOM 328 C HIS A 738 10.288 2.712 6.387 1.00 0.00 C ATOM 329 O HIS A 738 10.705 3.870 6.334 1.00 0.00 O ATOM 330 CB HIS A 738 10.139 1.654 8.668 1.00 0.00 C ATOM 331 CG HIS A 738 9.723 2.988 9.224 1.00 0.00 C ATOM 332 ND1 HIS A 738 10.520 3.750 10.049 1.00 0.00 N ATOM 333 CD2 HIS A 738 8.578 3.695 9.058 1.00 0.00 C ATOM 334 CE1 HIS A 738 9.886 4.862 10.365 1.00 0.00 C ATOM 335 NE2 HIS A 738 8.706 4.854 9.777 1.00 0.00 N ATOM 0 H HIS A 738 12.366 3.075 8.021 1.00 0.00 H new ATOM 0 HA HIS A 738 10.914 0.718 6.927 1.00 0.00 H new ATOM 0 HB2 HIS A 738 9.247 1.047 8.513 1.00 0.00 H new ATOM 0 HB3 HIS A 738 10.749 1.140 9.411 1.00 0.00 H new ATOM 0 HD2 HIS A 738 7.723 3.399 8.468 1.00 0.00 H new ATOM 0 HE1 HIS A 738 10.269 5.648 10.999 1.00 0.00 H new ATOM 0 HE2 HIS A 738 8.003 5.590 9.846 1.00 0.00 H new ATOM 344 N SER A 739 9.295 2.291 5.632 1.00 0.00 N ATOM 345 CA SER A 739 8.751 3.180 4.617 1.00 0.00 C ATOM 346 C SER A 739 7.493 3.875 5.111 1.00 0.00 C ATOM 347 O SER A 739 6.829 3.414 6.040 1.00 0.00 O ATOM 348 CB SER A 739 8.472 2.439 3.316 1.00 0.00 C ATOM 349 OG SER A 739 9.582 1.660 2.926 1.00 0.00 O ATOM 0 H SER A 739 8.857 1.372 5.693 1.00 0.00 H new ATOM 0 HA SER A 739 9.507 3.940 4.417 1.00 0.00 H new ATOM 0 HB2 SER A 739 7.599 1.798 3.439 1.00 0.00 H new ATOM 0 HB3 SER A 739 8.233 3.155 2.530 1.00 0.00 H new ATOM 0 HG SER A 739 9.405 0.717 3.123 1.00 0.00 H new ATOM 355 N SER A 740 7.183 4.982 4.470 1.00 0.00 N ATOM 356 CA SER A 740 6.091 5.838 4.869 1.00 0.00 C ATOM 357 C SER A 740 5.430 6.398 3.619 1.00 0.00 C ATOM 358 O SER A 740 5.946 7.322 2.992 1.00 0.00 O ATOM 359 CB SER A 740 6.621 6.970 5.756 1.00 0.00 C ATOM 360 OG SER A 740 5.569 7.676 6.394 1.00 0.00 O ATOM 0 H SER A 740 7.689 5.315 3.649 1.00 0.00 H new ATOM 0 HA SER A 740 5.356 5.272 5.441 1.00 0.00 H new ATOM 0 HB2 SER A 740 7.291 6.557 6.510 1.00 0.00 H new ATOM 0 HB3 SER A 740 7.208 7.661 5.151 1.00 0.00 H new ATOM 0 HG SER A 740 5.945 8.389 6.952 1.00 0.00 H new ATOM 366 N VAL A 741 4.309 5.818 3.246 1.00 0.00 N ATOM 367 CA VAL A 741 3.615 6.219 2.042 1.00 0.00 C ATOM 368 C VAL A 741 2.204 6.676 2.375 1.00 0.00 C ATOM 369 O VAL A 741 1.364 5.890 2.808 1.00 0.00 O ATOM 370 CB VAL A 741 3.586 5.084 0.991 1.00 0.00 C ATOM 371 CG1 VAL A 741 3.196 3.758 1.622 1.00 0.00 C ATOM 372 CG2 VAL A 741 2.641 5.420 -0.154 1.00 0.00 C ATOM 0 H VAL A 741 3.857 5.063 3.763 1.00 0.00 H new ATOM 0 HA VAL A 741 4.164 7.053 1.605 1.00 0.00 H new ATOM 0 HB VAL A 741 4.595 4.988 0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 741 3.185 2.981 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 741 3.919 3.496 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 741 2.205 3.844 2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 741 2.641 4.604 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 741 1.633 5.559 0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 741 2.972 6.337 -0.641 1.00 0.00 H new ATOM 382 N PRO A 742 1.936 7.966 2.198 1.00 0.00 N ATOM 383 CA PRO A 742 0.620 8.524 2.440 1.00 0.00 C ATOM 384 C PRO A 742 -0.340 8.063 1.364 1.00 0.00 C ATOM 385 O PRO A 742 -0.038 8.186 0.186 1.00 0.00 O ATOM 386 CB PRO A 742 0.828 10.039 2.380 1.00 0.00 C ATOM 387 CG PRO A 742 2.302 10.257 2.205 1.00 0.00 C ATOM 388 CD PRO A 742 2.884 8.967 1.710 1.00 0.00 C ATOM 0 HA PRO A 742 0.194 8.211 3.393 1.00 0.00 H new ATOM 0 HB2 PRO A 742 0.270 10.475 1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 742 0.470 10.517 3.292 1.00 0.00 H new ATOM 0 HG2 PRO A 742 2.490 11.062 1.495 1.00 0.00 H new ATOM 0 HG3 PRO A 742 2.762 10.550 3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 742 2.963 8.951 0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 742 3.886 8.799 2.105 1.00 0.00 H new ATOM 396 N VAL A 743 -1.459 7.476 1.752 1.00 0.00 N ATOM 397 CA VAL A 743 -2.416 6.979 0.776 1.00 0.00 C ATOM 398 C VAL A 743 -3.837 7.465 1.048 1.00 0.00 C ATOM 399 O VAL A 743 -4.450 7.107 2.044 1.00 0.00 O ATOM 400 CB VAL A 743 -2.442 5.449 0.728 1.00 0.00 C ATOM 401 CG1 VAL A 743 -3.319 4.997 -0.415 1.00 0.00 C ATOM 402 CG2 VAL A 743 -1.040 4.862 0.635 1.00 0.00 C ATOM 0 H VAL A 743 -1.727 7.332 2.726 1.00 0.00 H new ATOM 0 HA VAL A 743 -2.077 7.376 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 743 -2.865 5.076 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 743 -3.338 3.908 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 743 -4.331 5.373 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 743 -2.921 5.383 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 743 -1.102 3.774 0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 743 -0.553 5.224 -0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 743 -0.459 5.167 1.506 1.00 0.00 H new ATOM 412 N ALA A 744 -4.359 8.264 0.139 1.00 0.00 N ATOM 413 CA ALA A 744 -5.757 8.659 0.174 1.00 0.00 C ATOM 414 C ALA A 744 -6.586 7.546 -0.438 1.00 0.00 C ATOM 415 O ALA A 744 -6.654 7.384 -1.658 1.00 0.00 O ATOM 416 CB ALA A 744 -5.975 9.967 -0.556 1.00 0.00 C ATOM 0 H ALA A 744 -3.832 8.657 -0.641 1.00 0.00 H new ATOM 0 HA ALA A 744 -6.065 8.820 1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -7.030 10.236 -0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -5.381 10.750 -0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -5.671 9.858 -1.597 1.00 0.00 H new ATOM 422 N LEU A 745 -7.196 6.780 0.431 1.00 0.00 N ATOM 423 CA LEU A 745 -7.817 5.525 0.064 1.00 0.00 C ATOM 424 C LEU A 745 -9.223 5.742 -0.474 1.00 0.00 C ATOM 425 O LEU A 745 -9.786 6.831 -0.356 1.00 0.00 O ATOM 426 CB LEU A 745 -7.843 4.635 1.300 1.00 0.00 C ATOM 427 CG LEU A 745 -6.640 4.835 2.223 1.00 0.00 C ATOM 428 CD1 LEU A 745 -7.071 4.790 3.668 1.00 0.00 C ATOM 429 CD2 LEU A 745 -5.569 3.795 1.963 1.00 0.00 C ATOM 0 H LEU A 745 -7.278 7.008 1.422 1.00 0.00 H new ATOM 0 HA LEU A 745 -7.244 5.049 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -8.757 4.832 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -7.880 3.592 0.986 1.00 0.00 H new ATOM 0 HG LEU A 745 -6.216 5.817 2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -6.203 4.934 4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -7.797 5.581 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -7.525 3.822 3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -4.727 3.964 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -5.978 2.800 2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -5.230 3.872 0.930 1.00 0.00 H new ATOM 441 N LYS A 746 -9.782 4.701 -1.058 1.00 0.00 N ATOM 442 CA LYS A 746 -11.093 4.776 -1.663 1.00 0.00 C ATOM 443 C LYS A 746 -12.023 3.756 -1.037 1.00 0.00 C ATOM 444 O LYS A 746 -11.588 2.734 -0.516 1.00 0.00 O ATOM 445 CB LYS A 746 -10.998 4.522 -3.154 1.00 0.00 C ATOM 446 CG LYS A 746 -12.200 5.007 -3.947 1.00 0.00 C ATOM 447 CD LYS A 746 -12.258 6.522 -4.008 1.00 0.00 C ATOM 448 CE LYS A 746 -13.419 6.992 -4.865 1.00 0.00 C ATOM 449 NZ LYS A 746 -13.463 8.472 -4.987 1.00 0.00 N ATOM 0 H LYS A 746 -9.341 3.784 -1.126 1.00 0.00 H new ATOM 0 HA LYS A 746 -11.492 5.776 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -10.103 5.011 -3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -10.874 3.452 -3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -12.155 4.604 -4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -13.114 4.626 -3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -12.359 6.926 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -11.323 6.908 -4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -13.338 6.550 -5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -14.355 6.637 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -14.271 8.748 -5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -13.567 8.895 -4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -12.582 8.811 -5.423 1.00 0.00 H new ATOM 463 N GLY A 747 -13.301 4.034 -1.129 1.00 0.00 N ATOM 464 CA GLY A 747 -14.298 3.165 -0.533 1.00 0.00 C ATOM 465 C GLY A 747 -14.667 3.623 0.855 1.00 0.00 C ATOM 466 O GLY A 747 -13.806 3.753 1.718 1.00 0.00 O ATOM 0 H GLY A 747 -13.679 4.851 -1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -15.189 3.147 -1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -13.916 2.145 -0.492 1.00 0.00 H new ATOM 470 N GLN A 748 -15.943 3.866 1.077 1.00 0.00 N ATOM 471 CA GLN A 748 -16.382 4.448 2.335 1.00 0.00 C ATOM 472 C GLN A 748 -17.079 3.417 3.206 1.00 0.00 C ATOM 473 O GLN A 748 -18.145 2.905 2.858 1.00 0.00 O ATOM 474 CB GLN A 748 -17.292 5.650 2.093 1.00 0.00 C ATOM 475 CG GLN A 748 -16.614 6.789 1.344 1.00 0.00 C ATOM 476 CD GLN A 748 -16.478 6.527 -0.146 1.00 0.00 C ATOM 477 OE1 GLN A 748 -17.321 5.868 -0.754 1.00 0.00 O ATOM 478 NE2 GLN A 748 -15.397 7.006 -0.737 1.00 0.00 N ATOM 0 H GLN A 748 -16.691 3.673 0.411 1.00 0.00 H new ATOM 0 HA GLN A 748 -15.494 4.792 2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -18.166 5.325 1.529 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -17.652 6.021 3.053 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -17.185 7.705 1.495 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -15.624 6.957 1.769 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -14.720 7.548 -0.200 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -15.240 6.833 -1.730 1.00 0.00 H new ATOM 487 N GLY A 749 -16.457 3.116 4.331 1.00 0.00 N ATOM 488 CA GLY A 749 -16.972 2.108 5.230 1.00 0.00 C ATOM 489 C GLY A 749 -15.891 1.132 5.620 1.00 0.00 C ATOM 490 O GLY A 749 -14.739 1.320 5.256 1.00 0.00 O ATOM 0 H GLY A 749 -15.592 3.558 4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -17.377 2.584 6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -17.794 1.575 4.752 1.00 0.00 H new ATOM 494 N PRO A 750 -16.228 0.092 6.383 1.00 0.00 N ATOM 495 CA PRO A 750 -15.265 -0.926 6.799 1.00 0.00 C ATOM 496 C PRO A 750 -14.821 -1.817 5.638 1.00 0.00 C ATOM 497 O PRO A 750 -15.488 -2.798 5.301 1.00 0.00 O ATOM 498 CB PRO A 750 -16.032 -1.744 7.848 1.00 0.00 C ATOM 499 CG PRO A 750 -17.253 -0.943 8.163 1.00 0.00 C ATOM 500 CD PRO A 750 -17.560 -0.162 6.927 1.00 0.00 C ATOM 0 HA PRO A 750 -14.346 -0.482 7.181 1.00 0.00 H new ATOM 0 HB2 PRO A 750 -16.297 -2.728 7.461 1.00 0.00 H new ATOM 0 HB3 PRO A 750 -15.427 -1.904 8.740 1.00 0.00 H new ATOM 0 HG2 PRO A 750 -18.087 -1.591 8.433 1.00 0.00 H new ATOM 0 HG3 PRO A 750 -17.078 -0.280 9.010 1.00 0.00 H new ATOM 0 HD2 PRO A 750 -18.182 -0.727 6.233 1.00 0.00 H new ATOM 0 HD3 PRO A 750 -18.091 0.763 7.151 1.00 0.00 H new ATOM 508 N PHE A 751 -13.696 -1.464 5.025 1.00 0.00 N ATOM 509 CA PHE A 751 -13.159 -2.226 3.903 1.00 0.00 C ATOM 510 C PHE A 751 -11.839 -2.898 4.264 1.00 0.00 C ATOM 511 O PHE A 751 -11.005 -2.313 4.949 1.00 0.00 O ATOM 512 CB PHE A 751 -12.953 -1.314 2.696 1.00 0.00 C ATOM 513 CG PHE A 751 -14.235 -0.899 2.030 1.00 0.00 C ATOM 514 CD1 PHE A 751 -14.898 0.257 2.404 1.00 0.00 C ATOM 515 CD2 PHE A 751 -14.775 -1.674 1.021 1.00 0.00 C ATOM 516 CE1 PHE A 751 -16.074 0.625 1.784 1.00 0.00 C ATOM 517 CE2 PHE A 751 -15.951 -1.309 0.399 1.00 0.00 C ATOM 518 CZ PHE A 751 -16.600 -0.158 0.782 1.00 0.00 C ATOM 0 H PHE A 751 -13.137 -0.652 5.287 1.00 0.00 H new ATOM 0 HA PHE A 751 -13.883 -3.003 3.657 1.00 0.00 H new ATOM 0 HB2 PHE A 751 -12.413 -0.422 3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 751 -12.324 -1.826 1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 751 -14.491 0.877 3.189 1.00 0.00 H new ATOM 0 HD2 PHE A 751 -14.269 -2.578 0.715 1.00 0.00 H new ATOM 0 HE1 PHE A 751 -16.583 1.529 2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 751 -16.361 -1.926 -0.387 1.00 0.00 H new ATOM 0 HZ PHE A 751 -17.521 0.131 0.297 1.00 0.00 H new ATOM 528 N THR A 752 -11.641 -4.123 3.794 1.00 0.00 N ATOM 529 CA THR A 752 -10.391 -4.825 4.048 1.00 0.00 C ATOM 530 C THR A 752 -9.410 -4.545 2.929 1.00 0.00 C ATOM 531 O THR A 752 -9.531 -5.072 1.827 1.00 0.00 O ATOM 532 CB THR A 752 -10.592 -6.347 4.237 1.00 0.00 C ATOM 533 OG1 THR A 752 -11.485 -6.585 5.334 1.00 0.00 O ATOM 534 CG2 THR A 752 -9.266 -7.034 4.508 1.00 0.00 C ATOM 0 H THR A 752 -12.321 -4.645 3.242 1.00 0.00 H new ATOM 0 HA THR A 752 -9.986 -4.449 4.988 1.00 0.00 H new ATOM 0 HB THR A 752 -11.017 -6.755 3.320 1.00 0.00 H new ATOM 0 HG1 THR A 752 -11.611 -7.550 5.450 1.00 0.00 H new ATOM 0 HG21 THR A 752 -9.430 -8.104 4.638 1.00 0.00 H new ATOM 0 HG22 THR A 752 -8.593 -6.870 3.667 1.00 0.00 H new ATOM 0 HG23 THR A 752 -8.822 -6.623 5.414 1.00 0.00 H new ATOM 542 N LEU A 753 -8.445 -3.698 3.230 1.00 0.00 N ATOM 543 CA LEU A 753 -7.532 -3.180 2.234 1.00 0.00 C ATOM 544 C LEU A 753 -6.253 -4.013 2.229 1.00 0.00 C ATOM 545 O LEU A 753 -5.532 -4.069 3.225 1.00 0.00 O ATOM 546 CB LEU A 753 -7.240 -1.707 2.549 1.00 0.00 C ATOM 547 CG LEU A 753 -6.799 -0.821 1.376 1.00 0.00 C ATOM 548 CD1 LEU A 753 -6.501 0.575 1.885 1.00 0.00 C ATOM 549 CD2 LEU A 753 -5.580 -1.384 0.661 1.00 0.00 C ATOM 0 H LEU A 753 -8.273 -3.350 4.173 1.00 0.00 H new ATOM 0 HA LEU A 753 -7.975 -3.243 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 753 -8.137 -1.269 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 753 -6.463 -1.671 3.313 1.00 0.00 H new ATOM 0 HG LEU A 753 -7.614 -0.791 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 753 -6.187 1.206 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 753 -7.397 0.995 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 753 -5.703 0.529 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 753 -5.304 -0.724 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 753 -4.749 -1.457 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 753 -5.813 -2.374 0.269 1.00 0.00 H new ATOM 561 N THR A 754 -5.995 -4.677 1.116 1.00 0.00 N ATOM 562 CA THR A 754 -4.823 -5.524 0.979 1.00 0.00 C ATOM 563 C THR A 754 -3.865 -4.966 -0.069 1.00 0.00 C ATOM 564 O THR A 754 -4.298 -4.521 -1.136 1.00 0.00 O ATOM 565 CB THR A 754 -5.229 -6.938 0.564 1.00 0.00 C ATOM 566 OG1 THR A 754 -6.505 -7.267 1.129 1.00 0.00 O ATOM 567 CG2 THR A 754 -4.194 -7.921 1.051 1.00 0.00 C ATOM 0 H THR A 754 -6.588 -4.645 0.287 1.00 0.00 H new ATOM 0 HA THR A 754 -4.325 -5.551 1.948 1.00 0.00 H new ATOM 0 HB THR A 754 -5.297 -6.986 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 754 -7.212 -6.811 0.627 1.00 0.00 H new ATOM 0 HG21 THR A 754 -4.483 -8.930 0.756 1.00 0.00 H new ATOM 0 HG22 THR A 754 -3.226 -7.677 0.613 1.00 0.00 H new ATOM 0 HG23 THR A 754 -4.124 -7.867 2.137 1.00 0.00 H new ATOM 575 N TYR A 755 -2.569 -4.994 0.226 1.00 0.00 N ATOM 576 CA TYR A 755 -1.569 -4.513 -0.717 1.00 0.00 C ATOM 577 C TYR A 755 -0.280 -5.332 -0.635 1.00 0.00 C ATOM 578 O TYR A 755 -0.043 -6.047 0.343 1.00 0.00 O ATOM 579 CB TYR A 755 -1.281 -3.024 -0.486 1.00 0.00 C ATOM 580 CG TYR A 755 -0.922 -2.663 0.941 1.00 0.00 C ATOM 581 CD1 TYR A 755 0.352 -2.893 1.450 1.00 0.00 C ATOM 582 CD2 TYR A 755 -1.861 -2.071 1.773 1.00 0.00 C ATOM 583 CE1 TYR A 755 0.674 -2.544 2.745 1.00 0.00 C ATOM 584 CE2 TYR A 755 -1.547 -1.722 3.072 1.00 0.00 C ATOM 585 CZ TYR A 755 -0.277 -1.960 3.551 1.00 0.00 C ATOM 586 OH TYR A 755 0.046 -1.609 4.840 1.00 0.00 O ATOM 0 H TYR A 755 -2.189 -5.343 1.106 1.00 0.00 H new ATOM 0 HA TYR A 755 -1.974 -4.637 -1.721 1.00 0.00 H new ATOM 0 HB2 TYR A 755 -0.464 -2.720 -1.140 1.00 0.00 H new ATOM 0 HB3 TYR A 755 -2.158 -2.448 -0.783 1.00 0.00 H new ATOM 0 HD1 TYR A 755 1.101 -3.352 0.821 1.00 0.00 H new ATOM 0 HD2 TYR A 755 -2.856 -1.880 1.398 1.00 0.00 H new ATOM 0 HE1 TYR A 755 1.668 -2.728 3.125 1.00 0.00 H new ATOM 0 HE2 TYR A 755 -2.291 -1.266 3.708 1.00 0.00 H new ATOM 0 HH TYR A 755 0.623 -2.297 5.232 1.00 0.00 H new ATOM 596 N ASP A 756 0.544 -5.211 -1.670 1.00 0.00 N ATOM 597 CA ASP A 756 1.797 -5.951 -1.769 1.00 0.00 C ATOM 598 C ASP A 756 2.952 -5.012 -2.072 1.00 0.00 C ATOM 599 O ASP A 756 2.941 -4.297 -3.076 1.00 0.00 O ATOM 600 CB ASP A 756 1.733 -7.017 -2.869 1.00 0.00 C ATOM 601 CG ASP A 756 1.477 -8.416 -2.335 1.00 0.00 C ATOM 602 OD1 ASP A 756 0.513 -9.071 -2.787 1.00 0.00 O ATOM 603 OD2 ASP A 756 2.253 -8.881 -1.482 1.00 0.00 O ATOM 0 H ASP A 756 0.362 -4.597 -2.464 1.00 0.00 H new ATOM 0 HA ASP A 756 1.956 -6.438 -0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 756 0.944 -6.755 -3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 756 2.671 -7.013 -3.424 1.00 0.00 H new ATOM 608 N ILE A 757 3.931 -5.002 -1.191 1.00 0.00 N ATOM 609 CA ILE A 757 5.188 -4.332 -1.448 1.00 0.00 C ATOM 610 C ILE A 757 6.095 -5.313 -2.174 1.00 0.00 C ATOM 611 O ILE A 757 6.738 -6.161 -1.558 1.00 0.00 O ATOM 612 CB ILE A 757 5.870 -3.836 -0.148 1.00 0.00 C ATOM 613 CG1 ILE A 757 5.091 -2.686 0.464 1.00 0.00 C ATOM 614 CG2 ILE A 757 7.280 -3.379 -0.427 1.00 0.00 C ATOM 615 CD1 ILE A 757 3.875 -3.101 1.262 1.00 0.00 C ATOM 0 H ILE A 757 3.878 -5.457 -0.280 1.00 0.00 H new ATOM 0 HA ILE A 757 4.999 -3.446 -2.054 1.00 0.00 H new ATOM 0 HB ILE A 757 5.891 -4.671 0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 757 5.758 -2.118 1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 757 4.774 -2.015 -0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 757 7.741 -3.035 0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 757 7.858 -4.209 -0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 757 7.262 -2.562 -1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 757 3.382 -2.215 1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 757 3.183 -3.642 0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 757 4.183 -3.746 2.085 1.00 0.00 H new ATOM 627 N ILE A 758 6.123 -5.214 -3.487 1.00 0.00 N ATOM 628 CA ILE A 758 6.760 -6.223 -4.305 1.00 0.00 C ATOM 629 C ILE A 758 8.191 -5.858 -4.656 1.00 0.00 C ATOM 630 O ILE A 758 8.536 -4.682 -4.767 1.00 0.00 O ATOM 631 CB ILE A 758 5.945 -6.471 -5.586 1.00 0.00 C ATOM 632 CG1 ILE A 758 5.834 -5.210 -6.427 1.00 0.00 C ATOM 633 CG2 ILE A 758 4.555 -6.958 -5.226 1.00 0.00 C ATOM 634 CD1 ILE A 758 6.804 -5.159 -7.589 1.00 0.00 C ATOM 0 H ILE A 758 5.710 -4.442 -4.011 1.00 0.00 H new ATOM 0 HA ILE A 758 6.792 -7.140 -3.717 1.00 0.00 H new ATOM 0 HB ILE A 758 6.466 -7.229 -6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 758 4.817 -5.130 -6.812 1.00 0.00 H new ATOM 0 HG13 ILE A 758 6.002 -4.343 -5.788 1.00 0.00 H new ATOM 0 HG21 ILE A 758 3.983 -7.132 -6.137 1.00 0.00 H new ATOM 0 HG22 ILE A 758 4.630 -7.888 -4.662 1.00 0.00 H new ATOM 0 HG23 ILE A 758 4.051 -6.205 -4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 758 6.663 -4.229 -8.140 1.00 0.00 H new ATOM 0 HD12 ILE A 758 7.826 -5.206 -7.212 1.00 0.00 H new ATOM 0 HD13 ILE A 758 6.623 -6.005 -8.252 1.00 0.00 H new ATOM 646 N GLU A 759 9.022 -6.873 -4.824 1.00 0.00 N ATOM 647 CA GLU A 759 10.409 -6.664 -5.174 1.00 0.00 C ATOM 648 C GLU A 759 10.574 -6.632 -6.675 1.00 0.00 C ATOM 649 O GLU A 759 10.268 -7.604 -7.358 1.00 0.00 O ATOM 650 CB GLU A 759 11.287 -7.775 -4.623 1.00 0.00 C ATOM 651 CG GLU A 759 11.256 -7.911 -3.123 1.00 0.00 C ATOM 652 CD GLU A 759 12.542 -8.506 -2.585 1.00 0.00 C ATOM 653 OE1 GLU A 759 13.107 -9.398 -3.256 1.00 0.00 O ATOM 654 OE2 GLU A 759 12.989 -8.098 -1.493 1.00 0.00 O ATOM 0 H GLU A 759 8.755 -7.852 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 759 10.713 -5.711 -4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 759 10.976 -8.721 -5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 759 12.315 -7.598 -4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 759 11.092 -6.932 -2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 759 10.415 -8.540 -2.832 1.00 0.00 H new ATOM 661 N THR A 760 11.064 -5.527 -7.188 1.00 0.00 N ATOM 662 CA THR A 760 11.349 -5.441 -8.604 1.00 0.00 C ATOM 663 C THR A 760 12.824 -5.733 -8.846 1.00 0.00 C ATOM 664 O THR A 760 13.288 -5.787 -9.986 1.00 0.00 O ATOM 665 CB THR A 760 10.922 -4.076 -9.195 1.00 0.00 C ATOM 666 OG1 THR A 760 11.534 -3.847 -10.473 1.00 0.00 O ATOM 667 CG2 THR A 760 11.247 -2.941 -8.241 1.00 0.00 C ATOM 0 H THR A 760 11.272 -4.683 -6.654 1.00 0.00 H new ATOM 0 HA THR A 760 10.758 -6.193 -9.126 1.00 0.00 H new ATOM 0 HB THR A 760 9.842 -4.106 -9.337 1.00 0.00 H new ATOM 0 HG1 THR A 760 12.174 -4.565 -10.662 1.00 0.00 H new ATOM 0 HG21 THR A 760 10.936 -1.994 -8.683 1.00 0.00 H new ATOM 0 HG22 THR A 760 10.718 -3.094 -7.300 1.00 0.00 H new ATOM 0 HG23 THR A 760 12.321 -2.919 -8.054 1.00 0.00 H new ATOM 739 N ARG A 765 8.437 -10.293 -2.538 1.00 0.00 N ATOM 740 CA ARG A 765 7.246 -9.477 -2.355 1.00 0.00 C ATOM 741 C ARG A 765 6.632 -9.681 -0.963 1.00 0.00 C ATOM 742 O ARG A 765 6.561 -10.806 -0.461 1.00 0.00 O ATOM 743 CB ARG A 765 6.254 -9.850 -3.462 1.00 0.00 C ATOM 744 CG ARG A 765 4.796 -9.758 -3.069 1.00 0.00 C ATOM 745 CD ARG A 765 3.885 -10.074 -4.247 1.00 0.00 C ATOM 746 NE ARG A 765 4.111 -11.423 -4.765 1.00 0.00 N ATOM 747 CZ ARG A 765 3.258 -12.077 -5.555 1.00 0.00 C ATOM 748 NH1 ARG A 765 2.099 -11.527 -5.900 1.00 0.00 N ATOM 749 NH2 ARG A 765 3.564 -13.290 -5.991 1.00 0.00 N ATOM 0 HA ARG A 765 7.504 -8.420 -2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 765 6.426 -9.198 -4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 765 6.463 -10.868 -3.789 1.00 0.00 H new ATOM 0 HG2 ARG A 765 4.593 -10.451 -2.253 1.00 0.00 H new ATOM 0 HG3 ARG A 765 4.580 -8.756 -2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 765 2.844 -9.973 -3.938 1.00 0.00 H new ATOM 0 HD3 ARG A 765 4.054 -9.347 -5.042 1.00 0.00 H new ATOM 0 HE ARG A 765 4.977 -11.894 -4.505 1.00 0.00 H new ATOM 0 HH11 ARG A 765 1.855 -10.597 -5.560 1.00 0.00 H new ATOM 0 HH12 ARG A 765 1.453 -12.035 -6.505 1.00 0.00 H new ATOM 0 HH21 ARG A 765 4.449 -13.720 -5.722 1.00 0.00 H new ATOM 0 HH22 ARG A 765 2.915 -13.794 -6.595 1.00 0.00 H new ATOM 763 N LYS A 766 6.198 -8.588 -0.344 1.00 0.00 N ATOM 764 CA LYS A 766 5.641 -8.632 0.995 1.00 0.00 C ATOM 765 C LYS A 766 4.183 -8.217 0.975 1.00 0.00 C ATOM 766 O LYS A 766 3.820 -7.218 0.374 1.00 0.00 O ATOM 767 CB LYS A 766 6.424 -7.717 1.935 1.00 0.00 C ATOM 768 CG LYS A 766 6.175 -8.020 3.408 1.00 0.00 C ATOM 769 CD LYS A 766 5.014 -7.221 3.977 1.00 0.00 C ATOM 770 CE LYS A 766 4.710 -7.629 5.411 1.00 0.00 C ATOM 771 NZ LYS A 766 4.184 -9.019 5.496 1.00 0.00 N ATOM 0 H LYS A 766 6.224 -7.655 -0.756 1.00 0.00 H new ATOM 0 HA LYS A 766 5.715 -9.657 1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 766 7.489 -7.816 1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 766 6.154 -6.681 1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 766 5.973 -9.084 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 766 7.077 -7.801 3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 766 5.250 -6.157 3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 766 4.129 -7.371 3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 766 5.616 -7.547 6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 766 3.982 -6.939 5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 766 3.786 -9.182 6.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 766 3.441 -9.153 4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 766 4.957 -9.694 5.324 1.00 0.00 H new ATOM 785 N THR A 767 3.370 -8.961 1.680 1.00 0.00 N ATOM 786 CA THR A 767 1.931 -8.748 1.669 1.00 0.00 C ATOM 787 C THR A 767 1.458 -8.169 2.999 1.00 0.00 C ATOM 788 O THR A 767 1.910 -8.597 4.063 1.00 0.00 O ATOM 789 CB THR A 767 1.200 -10.079 1.411 1.00 0.00 C ATOM 790 OG1 THR A 767 1.736 -10.704 0.237 1.00 0.00 O ATOM 791 CG2 THR A 767 -0.298 -9.864 1.238 1.00 0.00 C ATOM 0 H THR A 767 3.676 -9.729 2.277 1.00 0.00 H new ATOM 0 HA THR A 767 1.702 -8.041 0.872 1.00 0.00 H new ATOM 0 HB THR A 767 1.353 -10.724 2.277 1.00 0.00 H new ATOM 0 HG1 THR A 767 2.266 -10.052 -0.268 1.00 0.00 H new ATOM 0 HG21 THR A 767 -0.785 -10.822 1.057 1.00 0.00 H new ATOM 0 HG22 THR A 767 -0.708 -9.414 2.142 1.00 0.00 H new ATOM 0 HG23 THR A 767 -0.475 -9.202 0.390 1.00 0.00 H new ATOM 799 N PHE A 768 0.570 -7.184 2.943 1.00 0.00 N ATOM 800 CA PHE A 768 -0.019 -6.629 4.149 1.00 0.00 C ATOM 801 C PHE A 768 -1.501 -6.350 3.943 1.00 0.00 C ATOM 802 O PHE A 768 -1.918 -5.890 2.877 1.00 0.00 O ATOM 803 CB PHE A 768 0.695 -5.348 4.562 1.00 0.00 C ATOM 804 CG PHE A 768 0.708 -5.146 6.047 1.00 0.00 C ATOM 805 CD1 PHE A 768 1.458 -5.980 6.851 1.00 0.00 C ATOM 806 CD2 PHE A 768 -0.029 -4.134 6.638 1.00 0.00 C ATOM 807 CE1 PHE A 768 1.478 -5.812 8.221 1.00 0.00 C ATOM 808 CE2 PHE A 768 -0.014 -3.958 8.009 1.00 0.00 C ATOM 809 CZ PHE A 768 0.741 -4.800 8.801 1.00 0.00 C ATOM 0 H PHE A 768 0.244 -6.756 2.076 1.00 0.00 H new ATOM 0 HA PHE A 768 0.095 -7.365 4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 768 1.721 -5.374 4.194 1.00 0.00 H new ATOM 0 HB3 PHE A 768 0.208 -4.496 4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 768 2.037 -6.774 6.403 1.00 0.00 H new ATOM 0 HD2 PHE A 768 -0.622 -3.475 6.021 1.00 0.00 H new ATOM 0 HE1 PHE A 768 2.070 -6.472 8.838 1.00 0.00 H new ATOM 0 HE2 PHE A 768 -0.591 -3.164 8.459 1.00 0.00 H new ATOM 0 HZ PHE A 768 0.755 -4.667 9.873 1.00 0.00 H new ATOM 819 N GLU A 769 -2.288 -6.647 4.964 1.00 0.00 N ATOM 820 CA GLU A 769 -3.722 -6.452 4.918 1.00 0.00 C ATOM 821 C GLU A 769 -4.205 -5.683 6.144 1.00 0.00 C ATOM 822 O GLU A 769 -3.864 -6.026 7.278 1.00 0.00 O ATOM 823 CB GLU A 769 -4.401 -7.815 4.848 1.00 0.00 C ATOM 824 CG GLU A 769 -5.919 -7.751 4.835 1.00 0.00 C ATOM 825 CD GLU A 769 -6.556 -9.123 4.909 1.00 0.00 C ATOM 826 OE1 GLU A 769 -6.811 -9.604 6.033 1.00 0.00 O ATOM 827 OE2 GLU A 769 -6.813 -9.723 3.844 1.00 0.00 O ATOM 0 H GLU A 769 -1.948 -7.030 5.846 1.00 0.00 H new ATOM 0 HA GLU A 769 -3.977 -5.865 4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -4.062 -8.332 3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -4.080 -8.413 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.262 -7.149 5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -6.251 -7.248 3.927 1.00 0.00 H new ATOM 834 N ILE A 770 -4.987 -4.638 5.913 1.00 0.00 N ATOM 835 CA ILE A 770 -5.577 -3.870 6.990 1.00 0.00 C ATOM 836 C ILE A 770 -7.085 -3.871 6.819 1.00 0.00 C ATOM 837 O ILE A 770 -7.614 -3.322 5.856 1.00 0.00 O ATOM 838 CB ILE A 770 -5.032 -2.426 7.009 1.00 0.00 C ATOM 839 CG1 ILE A 770 -3.541 -2.436 7.333 1.00 0.00 C ATOM 840 CG2 ILE A 770 -5.782 -1.571 8.019 1.00 0.00 C ATOM 841 CD1 ILE A 770 -2.732 -1.552 6.423 1.00 0.00 C ATOM 0 H ILE A 770 -5.227 -4.304 4.980 1.00 0.00 H new ATOM 0 HA ILE A 770 -5.313 -4.327 7.944 1.00 0.00 H new ATOM 0 HB ILE A 770 -5.182 -1.991 6.021 1.00 0.00 H new ATOM 0 HG12 ILE A 770 -3.397 -2.114 8.364 1.00 0.00 H new ATOM 0 HG13 ILE A 770 -3.167 -3.458 7.263 1.00 0.00 H new ATOM 0 HG21 ILE A 770 -5.377 -0.559 8.011 1.00 0.00 H new ATOM 0 HG22 ILE A 770 -6.839 -1.541 7.756 1.00 0.00 H new ATOM 0 HG23 ILE A 770 -5.668 -2.000 9.015 1.00 0.00 H new ATOM 0 HD11 ILE A 770 -1.681 -1.604 6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 770 -2.847 -1.888 5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 770 -3.081 -0.523 6.510 1.00 0.00 H new ATOM 853 N LYS A 771 -7.772 -4.534 7.727 1.00 0.00 N ATOM 854 CA LYS A 771 -9.197 -4.719 7.609 1.00 0.00 C ATOM 855 C LYS A 771 -9.954 -3.535 8.170 1.00 0.00 C ATOM 856 O LYS A 771 -9.481 -2.835 9.065 1.00 0.00 O ATOM 857 CB LYS A 771 -9.608 -5.994 8.324 1.00 0.00 C ATOM 858 CG LYS A 771 -8.466 -6.986 8.422 1.00 0.00 C ATOM 859 CD LYS A 771 -8.931 -8.373 8.795 1.00 0.00 C ATOM 860 CE LYS A 771 -9.682 -9.035 7.651 1.00 0.00 C ATOM 861 NZ LYS A 771 -9.939 -10.474 7.918 1.00 0.00 N ATOM 0 H LYS A 771 -7.359 -4.955 8.559 1.00 0.00 H new ATOM 0 HA LYS A 771 -9.446 -4.800 6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 771 -9.962 -5.750 9.325 1.00 0.00 H new ATOM 0 HB3 LYS A 771 -10.442 -6.453 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 771 -7.943 -7.027 7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 771 -7.748 -6.636 9.164 1.00 0.00 H new ATOM 0 HD2 LYS A 771 -8.071 -8.985 9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 771 -9.576 -8.318 9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 771 -10.630 -8.520 7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -9.106 -8.933 6.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -10.453 -10.890 7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -9.034 -10.971 8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 -10.510 -10.570 8.782 1.00 0.00 H new ATOM 875 N GLU A 772 -11.135 -3.336 7.616 1.00 0.00 N ATOM 876 CA GLU A 772 -12.061 -2.291 8.039 1.00 0.00 C ATOM 877 C GLU A 772 -11.424 -0.903 8.023 1.00 0.00 C ATOM 878 O GLU A 772 -11.563 -0.153 8.989 1.00 0.00 O ATOM 879 CB GLU A 772 -12.593 -2.574 9.443 1.00 0.00 C ATOM 880 CG GLU A 772 -12.837 -4.043 9.719 1.00 0.00 C ATOM 881 CD GLU A 772 -13.766 -4.271 10.890 1.00 0.00 C ATOM 882 OE1 GLU A 772 -14.995 -4.332 10.674 1.00 0.00 O ATOM 883 OE2 GLU A 772 -13.277 -4.387 12.031 1.00 0.00 O ATOM 0 H GLU A 772 -11.488 -3.904 6.846 1.00 0.00 H new ATOM 0 HA GLU A 772 -12.880 -2.299 7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 772 -11.883 -2.189 10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 772 -13.525 -2.027 9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 772 -13.259 -4.510 8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 772 -11.884 -4.535 9.915 1.00 0.00 H new ATOM 890 N ILE A 773 -10.730 -0.549 6.948 1.00 0.00 N ATOM 891 CA ILE A 773 -10.224 0.803 6.835 1.00 0.00 C ATOM 892 C ILE A 773 -11.398 1.714 6.526 1.00 0.00 C ATOM 893 O ILE A 773 -12.125 1.514 5.559 1.00 0.00 O ATOM 894 CB ILE A 773 -9.064 0.956 5.793 1.00 0.00 C ATOM 895 CG1 ILE A 773 -9.546 1.419 4.414 1.00 0.00 C ATOM 896 CG2 ILE A 773 -8.285 -0.346 5.650 1.00 0.00 C ATOM 897 CD1 ILE A 773 -9.684 2.930 4.283 1.00 0.00 C ATOM 0 H ILE A 773 -10.512 -1.164 6.164 1.00 0.00 H new ATOM 0 HA ILE A 773 -9.765 1.086 7.783 1.00 0.00 H new ATOM 0 HB ILE A 773 -8.412 1.735 6.187 1.00 0.00 H new ATOM 0 HG12 ILE A 773 -8.848 1.061 3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 773 -10.510 0.956 4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 773 -7.486 -0.213 4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 773 -7.856 -0.621 6.613 1.00 0.00 H new ATOM 0 HG23 ILE A 773 -8.956 -1.136 5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 773 -10.029 3.178 3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 773 -10.405 3.294 5.015 1.00 0.00 H new ATOM 0 HD13 ILE A 773 -8.717 3.400 4.461 1.00 0.00 H new ATOM 909 N LYS A 774 -11.624 2.660 7.409 1.00 0.00 N ATOM 910 CA LYS A 774 -12.733 3.582 7.281 1.00 0.00 C ATOM 911 C LYS A 774 -12.180 4.991 7.154 1.00 0.00 C ATOM 912 O LYS A 774 -12.799 5.970 7.578 1.00 0.00 O ATOM 913 CB LYS A 774 -13.630 3.443 8.513 1.00 0.00 C ATOM 914 CG LYS A 774 -13.937 1.988 8.849 1.00 0.00 C ATOM 915 CD LYS A 774 -14.533 1.830 10.236 1.00 0.00 C ATOM 916 CE LYS A 774 -14.624 0.363 10.631 1.00 0.00 C ATOM 917 NZ LYS A 774 -15.182 0.186 11.997 1.00 0.00 N ATOM 0 H LYS A 774 -11.046 2.813 8.235 1.00 0.00 H new ATOM 0 HA LYS A 774 -13.328 3.363 6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 774 -13.145 3.915 9.367 1.00 0.00 H new ATOM 0 HB3 LYS A 774 -14.564 3.978 8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 774 -14.630 1.585 8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 774 -13.021 1.401 8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 774 -13.922 2.367 10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 774 -15.526 2.279 10.261 1.00 0.00 H new ATOM 0 HE2 LYS A 774 -15.249 -0.167 9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 774 -13.632 -0.087 10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 774 -15.226 -0.828 12.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 774 -14.572 0.670 12.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 774 -16.139 0.592 12.036 1.00 0.00 H new ATOM 931 N THR A 775 -10.995 5.076 6.565 1.00 0.00 N ATOM 932 CA THR A 775 -10.249 6.321 6.531 1.00 0.00 C ATOM 933 C THR A 775 -10.455 7.120 5.235 1.00 0.00 C ATOM 934 O THR A 775 -11.096 8.169 5.257 1.00 0.00 O ATOM 935 CB THR A 775 -8.752 6.046 6.720 1.00 0.00 C ATOM 936 OG1 THR A 775 -8.574 4.885 7.540 1.00 0.00 O ATOM 937 CG2 THR A 775 -8.064 7.238 7.368 1.00 0.00 C ATOM 0 H THR A 775 -10.531 4.294 6.104 1.00 0.00 H new ATOM 0 HA THR A 775 -10.635 6.928 7.350 1.00 0.00 H new ATOM 0 HB THR A 775 -8.305 5.875 5.741 1.00 0.00 H new ATOM 0 HG1 THR A 775 -7.617 4.711 7.657 1.00 0.00 H new ATOM 0 HG21 THR A 775 -7.003 7.022 7.493 1.00 0.00 H new ATOM 0 HG22 THR A 775 -8.183 8.116 6.733 1.00 0.00 H new ATOM 0 HG23 THR A 775 -8.512 7.431 8.343 1.00 0.00 H new ATOM 945 N ASN A 776 -9.873 6.624 4.129 1.00 0.00 N ATOM 946 CA ASN A 776 -9.882 7.302 2.812 1.00 0.00 C ATOM 947 C ASN A 776 -8.760 8.328 2.736 1.00 0.00 C ATOM 948 O ASN A 776 -8.625 9.054 1.754 1.00 0.00 O ATOM 949 CB ASN A 776 -11.231 7.966 2.478 1.00 0.00 C ATOM 950 CG ASN A 776 -12.234 7.010 1.855 1.00 0.00 C ATOM 951 OD1 ASN A 776 -13.101 7.419 1.082 1.00 0.00 O ATOM 952 ND2 ASN A 776 -12.115 5.732 2.172 1.00 0.00 N ATOM 0 H ASN A 776 -9.377 5.733 4.120 1.00 0.00 H new ATOM 0 HA ASN A 776 -9.723 6.525 2.065 1.00 0.00 H new ATOM 0 HB2 ASN A 776 -11.657 8.385 3.389 1.00 0.00 H new ATOM 0 HB3 ASN A 776 -11.059 8.798 1.795 1.00 0.00 H new ATOM 0 HD21 ASN A 776 -12.755 5.046 1.772 1.00 0.00 H new ATOM 0 HD22 ASN A 776 -11.383 5.432 2.816 1.00 0.00 H new ATOM 959 N GLU A 777 -7.949 8.358 3.780 1.00 0.00 N ATOM 960 CA GLU A 777 -6.837 9.272 3.889 1.00 0.00 C ATOM 961 C GLU A 777 -5.875 8.747 4.951 1.00 0.00 C ATOM 962 O GLU A 777 -5.864 9.230 6.083 1.00 0.00 O ATOM 963 CB GLU A 777 -7.382 10.606 4.312 1.00 0.00 C ATOM 964 CG GLU A 777 -6.471 11.769 3.995 1.00 0.00 C ATOM 965 CD GLU A 777 -6.368 12.061 2.513 1.00 0.00 C ATOM 966 OE1 GLU A 777 -7.353 12.567 1.932 1.00 0.00 O ATOM 967 OE2 GLU A 777 -5.299 11.802 1.927 1.00 0.00 O ATOM 0 H GLU A 777 -8.050 7.738 4.583 1.00 0.00 H new ATOM 0 HA GLU A 777 -6.308 9.366 2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -8.343 10.766 3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -7.570 10.587 5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -6.836 12.658 4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -5.476 11.560 4.387 1.00 0.00 H new ATOM 974 N TYR A 778 -5.075 7.762 4.598 1.00 0.00 N ATOM 975 CA TYR A 778 -4.286 7.048 5.597 1.00 0.00 C ATOM 976 C TYR A 778 -2.840 6.892 5.163 1.00 0.00 C ATOM 977 O TYR A 778 -2.553 6.389 4.079 1.00 0.00 O ATOM 978 CB TYR A 778 -4.905 5.683 5.908 1.00 0.00 C ATOM 979 CG TYR A 778 -4.085 4.840 6.865 1.00 0.00 C ATOM 980 CD1 TYR A 778 -4.012 5.162 8.214 1.00 0.00 C ATOM 981 CD2 TYR A 778 -3.385 3.725 6.419 1.00 0.00 C ATOM 982 CE1 TYR A 778 -3.264 4.398 9.091 1.00 0.00 C ATOM 983 CE2 TYR A 778 -2.635 2.956 7.290 1.00 0.00 C ATOM 984 CZ TYR A 778 -2.577 3.297 8.624 1.00 0.00 C ATOM 985 OH TYR A 778 -1.834 2.530 9.498 1.00 0.00 O ATOM 0 H TYR A 778 -4.950 7.436 3.640 1.00 0.00 H new ATOM 0 HA TYR A 778 -4.295 7.648 6.507 1.00 0.00 H new ATOM 0 HB2 TYR A 778 -5.898 5.833 6.331 1.00 0.00 H new ATOM 0 HB3 TYR A 778 -5.036 5.133 4.976 1.00 0.00 H new ATOM 0 HD1 TYR A 778 -4.548 6.023 8.584 1.00 0.00 H new ATOM 0 HD2 TYR A 778 -3.428 3.455 5.374 1.00 0.00 H new ATOM 0 HE1 TYR A 778 -3.218 4.662 10.137 1.00 0.00 H new ATOM 0 HE2 TYR A 778 -2.097 2.093 6.927 1.00 0.00 H new ATOM 0 HH TYR A 778 -1.414 1.792 9.009 1.00 0.00 H new ATOM 995 N VAL A 779 -1.931 7.335 6.014 1.00 0.00 N ATOM 996 CA VAL A 779 -0.517 7.182 5.746 1.00 0.00 C ATOM 997 C VAL A 779 -0.049 5.806 6.188 1.00 0.00 C ATOM 998 O VAL A 779 -0.099 5.462 7.370 1.00 0.00 O ATOM 999 CB VAL A 779 0.326 8.275 6.429 1.00 0.00 C ATOM 1000 CG1 VAL A 779 1.775 8.204 5.971 1.00 0.00 C ATOM 1001 CG2 VAL A 779 -0.254 9.645 6.148 1.00 0.00 C ATOM 0 H VAL A 779 -2.149 7.802 6.894 1.00 0.00 H new ATOM 0 HA VAL A 779 -0.375 7.288 4.670 1.00 0.00 H new ATOM 0 HB VAL A 779 0.301 8.103 7.505 1.00 0.00 H new ATOM 0 HG11 VAL A 779 2.352 8.985 6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 779 2.190 7.229 6.227 1.00 0.00 H new ATOM 0 HG13 VAL A 779 1.823 8.347 4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 779 0.354 10.405 6.638 1.00 0.00 H new ATOM 0 HG22 VAL A 779 -0.261 9.824 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 779 -1.274 9.694 6.530 1.00 0.00 H new ATOM 1011 N ILE A 780 0.382 5.022 5.219 1.00 0.00 N ATOM 1012 CA ILE A 780 0.789 3.653 5.447 1.00 0.00 C ATOM 1013 C ILE A 780 2.274 3.580 5.776 1.00 0.00 C ATOM 1014 O ILE A 780 3.096 4.232 5.136 1.00 0.00 O ATOM 1015 CB ILE A 780 0.504 2.791 4.202 1.00 0.00 C ATOM 1016 CG1 ILE A 780 -0.982 2.742 3.887 1.00 0.00 C ATOM 1017 CG2 ILE A 780 1.034 1.379 4.378 1.00 0.00 C ATOM 1018 CD1 ILE A 780 -1.267 1.949 2.635 1.00 0.00 C ATOM 0 H ILE A 780 0.459 5.320 4.247 1.00 0.00 H new ATOM 0 HA ILE A 780 0.216 3.271 6.292 1.00 0.00 H new ATOM 0 HB ILE A 780 1.022 3.261 3.366 1.00 0.00 H new ATOM 0 HG12 ILE A 780 -1.517 2.298 4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 780 -1.361 3.757 3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 780 0.818 0.795 3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 780 2.112 1.412 4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 780 0.553 0.915 5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 780 -2.341 1.939 2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 780 -0.754 2.407 1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 780 -0.912 0.926 2.763 1.00 0.00 H new ATOM 1030 N LYS A 781 2.610 2.789 6.776 1.00 0.00 N ATOM 1031 CA LYS A 781 3.996 2.591 7.160 1.00 0.00 C ATOM 1032 C LYS A 781 4.361 1.129 7.006 1.00 0.00 C ATOM 1033 O LYS A 781 3.896 0.275 7.764 1.00 0.00 O ATOM 1034 CB LYS A 781 4.256 3.053 8.598 1.00 0.00 C ATOM 1035 CG LYS A 781 4.509 4.550 8.737 1.00 0.00 C ATOM 1036 CD LYS A 781 3.273 5.382 8.451 1.00 0.00 C ATOM 1037 CE LYS A 781 2.276 5.280 9.587 1.00 0.00 C ATOM 1038 NZ LYS A 781 2.800 5.886 10.840 1.00 0.00 N ATOM 0 H LYS A 781 1.938 2.270 7.341 1.00 0.00 H new ATOM 0 HA LYS A 781 4.621 3.196 6.503 1.00 0.00 H new ATOM 0 HB2 LYS A 781 3.400 2.782 9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 781 5.117 2.512 8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 781 4.859 4.763 9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 781 5.306 4.844 8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 781 3.557 6.424 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 781 2.809 5.045 7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 781 1.349 5.778 9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 781 2.033 4.232 9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 781 2.006 6.137 11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 781 3.417 5.203 11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 781 3.344 6.742 10.611 1.00 0.00 H new ATOM 1052 N THR A 782 5.180 0.842 6.014 1.00 0.00 N ATOM 1053 CA THR A 782 5.545 -0.524 5.711 1.00 0.00 C ATOM 1054 C THR A 782 6.678 -0.997 6.616 1.00 0.00 C ATOM 1055 O THR A 782 7.528 -0.191 7.036 1.00 0.00 O ATOM 1056 CB THR A 782 5.954 -0.684 4.244 1.00 0.00 C ATOM 1057 OG1 THR A 782 7.075 0.133 3.951 1.00 0.00 O ATOM 1058 CG2 THR A 782 4.812 -0.312 3.343 1.00 0.00 C ATOM 0 H THR A 782 5.605 1.540 5.404 1.00 0.00 H new ATOM 0 HA THR A 782 4.664 -1.140 5.891 1.00 0.00 H new ATOM 0 HB THR A 782 6.220 -1.727 4.074 1.00 0.00 H new ATOM 0 HG1 THR A 782 7.405 -0.074 3.052 1.00 0.00 H new ATOM 0 HG21 THR A 782 5.116 -0.430 2.303 1.00 0.00 H new ATOM 0 HG22 THR A 782 3.960 -0.961 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 782 4.530 0.725 3.523 1.00 0.00 H new ATOM 1066 N PRO A 783 6.688 -2.308 6.926 1.00 0.00 N ATOM 1067 CA PRO A 783 7.681 -2.939 7.810 1.00 0.00 C ATOM 1068 C PRO A 783 9.123 -2.584 7.455 1.00 0.00 C ATOM 1069 O PRO A 783 9.434 -2.226 6.322 1.00 0.00 O ATOM 1070 CB PRO A 783 7.442 -4.432 7.596 1.00 0.00 C ATOM 1071 CG PRO A 783 6.014 -4.537 7.193 1.00 0.00 C ATOM 1072 CD PRO A 783 5.697 -3.283 6.433 1.00 0.00 C ATOM 0 HA PRO A 783 7.561 -2.604 8.840 1.00 0.00 H new ATOM 0 HB2 PRO A 783 8.101 -4.831 6.825 1.00 0.00 H new ATOM 0 HB3 PRO A 783 7.638 -4.998 8.507 1.00 0.00 H new ATOM 0 HG2 PRO A 783 5.849 -5.419 6.574 1.00 0.00 H new ATOM 0 HG3 PRO A 783 5.370 -4.635 8.067 1.00 0.00 H new ATOM 0 HD2 PRO A 783 5.787 -3.435 5.357 1.00 0.00 H new ATOM 0 HD3 PRO A 783 4.678 -2.947 6.624 1.00 0.00 H new ATOM 1080 N VAL A 784 9.993 -2.711 8.446 1.00 0.00 N ATOM 1081 CA VAL A 784 11.384 -2.304 8.336 1.00 0.00 C ATOM 1082 C VAL A 784 12.138 -3.063 7.248 1.00 0.00 C ATOM 1083 O VAL A 784 12.093 -4.294 7.173 1.00 0.00 O ATOM 1084 CB VAL A 784 12.101 -2.490 9.687 1.00 0.00 C ATOM 1085 CG1 VAL A 784 13.592 -2.227 9.563 1.00 0.00 C ATOM 1086 CG2 VAL A 784 11.477 -1.585 10.730 1.00 0.00 C ATOM 0 H VAL A 784 9.750 -3.103 9.356 1.00 0.00 H new ATOM 0 HA VAL A 784 11.381 -1.251 8.055 1.00 0.00 H new ATOM 0 HB VAL A 784 11.980 -3.527 10.001 1.00 0.00 H new ATOM 0 HG11 VAL A 784 14.068 -2.367 10.534 1.00 0.00 H new ATOM 0 HG12 VAL A 784 14.025 -2.921 8.843 1.00 0.00 H new ATOM 0 HG13 VAL A 784 13.754 -1.204 9.223 1.00 0.00 H new ATOM 0 HG21 VAL A 784 11.988 -1.721 11.683 1.00 0.00 H new ATOM 0 HG22 VAL A 784 11.571 -0.546 10.413 1.00 0.00 H new ATOM 0 HG23 VAL A 784 10.422 -1.836 10.845 1.00 0.00 H new ATOM 1096 N PHE A 785 12.839 -2.303 6.420 1.00 0.00 N ATOM 1097 CA PHE A 785 13.667 -2.853 5.361 1.00 0.00 C ATOM 1098 C PHE A 785 15.137 -2.786 5.760 1.00 0.00 C ATOM 1099 O PHE A 785 15.831 -1.812 5.461 1.00 0.00 O ATOM 1100 CB PHE A 785 13.475 -2.079 4.054 1.00 0.00 C ATOM 1101 CG PHE A 785 12.086 -2.146 3.487 1.00 0.00 C ATOM 1102 CD1 PHE A 785 11.090 -1.324 3.974 1.00 0.00 C ATOM 1103 CD2 PHE A 785 11.781 -3.019 2.459 1.00 0.00 C ATOM 1104 CE1 PHE A 785 9.814 -1.371 3.452 1.00 0.00 C ATOM 1105 CE2 PHE A 785 10.506 -3.074 1.931 1.00 0.00 C ATOM 1106 CZ PHE A 785 9.521 -2.248 2.429 1.00 0.00 C ATOM 0 H PHE A 785 12.849 -1.284 6.465 1.00 0.00 H new ATOM 0 HA PHE A 785 13.367 -3.890 5.208 1.00 0.00 H new ATOM 0 HB2 PHE A 785 13.734 -1.034 4.224 1.00 0.00 H new ATOM 0 HB3 PHE A 785 14.175 -2.464 3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 785 11.313 -0.634 4.775 1.00 0.00 H new ATOM 0 HD2 PHE A 785 12.550 -3.666 2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 785 9.045 -0.722 3.844 1.00 0.00 H new ATOM 0 HE2 PHE A 785 10.281 -3.762 1.130 1.00 0.00 H new ATOM 0 HZ PHE A 785 8.523 -2.288 2.019 1.00 0.00 H new ATOM 1116 N THR A 786 15.620 -3.821 6.424 1.00 0.00 N ATOM 1117 CA THR A 786 17.016 -3.885 6.837 1.00 0.00 C ATOM 1118 C THR A 786 17.879 -4.392 5.697 1.00 0.00 C ATOM 1119 O THR A 786 18.924 -5.013 5.894 1.00 0.00 O ATOM 1120 CB THR A 786 17.172 -4.783 8.061 1.00 0.00 C ATOM 1121 OG1 THR A 786 16.549 -6.050 7.822 1.00 0.00 O ATOM 1122 CG2 THR A 786 16.538 -4.113 9.257 1.00 0.00 C ATOM 0 H THR A 786 15.065 -4.634 6.691 1.00 0.00 H new ATOM 0 HA THR A 786 17.344 -2.880 7.103 1.00 0.00 H new ATOM 0 HB THR A 786 18.232 -4.946 8.257 1.00 0.00 H new ATOM 0 HG1 THR A 786 16.655 -6.621 8.611 1.00 0.00 H new ATOM 0 HG21 THR A 786 16.648 -4.752 10.133 1.00 0.00 H new ATOM 0 HG22 THR A 786 17.029 -3.157 9.441 1.00 0.00 H new ATOM 0 HG23 THR A 786 15.479 -3.945 9.061 1.00 0.00 H new ATOM 1130 N THR A 787 17.427 -4.104 4.498 1.00 0.00 N ATOM 1131 CA THR A 787 18.072 -4.585 3.295 1.00 0.00 C ATOM 1132 C THR A 787 17.668 -3.724 2.111 1.00 0.00 C ATOM 1133 O THR A 787 16.527 -3.784 1.653 1.00 0.00 O ATOM 1134 CB THR A 787 17.709 -6.045 2.992 1.00 0.00 C ATOM 1135 OG1 THR A 787 17.618 -6.813 4.204 1.00 0.00 O ATOM 1136 CG2 THR A 787 18.762 -6.660 2.091 1.00 0.00 C ATOM 0 H THR A 787 16.602 -3.530 4.328 1.00 0.00 H new ATOM 0 HA THR A 787 19.148 -4.526 3.460 1.00 0.00 H new ATOM 0 HB THR A 787 16.740 -6.058 2.494 1.00 0.00 H new ATOM 0 HG1 THR A 787 17.384 -7.740 3.987 1.00 0.00 H new ATOM 0 HG21 THR A 787 18.499 -7.696 1.879 1.00 0.00 H new ATOM 0 HG22 THR A 787 18.813 -6.100 1.157 1.00 0.00 H new ATOM 0 HG23 THR A 787 19.731 -6.626 2.588 1.00 0.00 H new ATOM 1144 N GLY A 788 18.592 -2.878 1.671 1.00 0.00 N ATOM 1145 CA GLY A 788 18.394 -2.112 0.457 1.00 0.00 C ATOM 1146 C GLY A 788 17.943 -2.951 -0.726 1.00 0.00 C ATOM 1147 O GLY A 788 18.453 -4.045 -0.971 1.00 0.00 O ATOM 0 H GLY A 788 19.482 -2.709 2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 788 17.652 -1.335 0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 788 19.325 -1.608 0.200 1.00 0.00 H new ATOM 1151 N GLY A 789 16.996 -2.402 -1.455 1.00 0.00 N ATOM 1152 CA GLY A 789 16.418 -3.055 -2.601 1.00 0.00 C ATOM 1153 C GLY A 789 15.421 -2.133 -3.258 1.00 0.00 C ATOM 1154 O GLY A 789 15.242 -1.000 -2.801 1.00 0.00 O ATOM 0 H GLY A 789 16.604 -1.480 -1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 789 17.200 -3.327 -3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 789 15.928 -3.980 -2.297 1.00 0.00 H new ATOM 1158 N ASP A 790 14.762 -2.585 -4.306 1.00 0.00 N ATOM 1159 CA ASP A 790 13.796 -1.752 -4.983 1.00 0.00 C ATOM 1160 C ASP A 790 12.435 -2.407 -4.899 1.00 0.00 C ATOM 1161 O ASP A 790 12.244 -3.538 -5.359 1.00 0.00 O ATOM 1162 CB ASP A 790 14.181 -1.521 -6.444 1.00 0.00 C ATOM 1163 CG ASP A 790 15.619 -1.070 -6.626 1.00 0.00 C ATOM 1164 OD1 ASP A 790 15.840 0.121 -6.923 1.00 0.00 O ATOM 1165 OD2 ASP A 790 16.536 -1.909 -6.486 1.00 0.00 O ATOM 0 H ASP A 790 14.878 -3.517 -4.703 1.00 0.00 H new ATOM 0 HA ASP A 790 13.772 -0.778 -4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 790 14.024 -2.443 -7.003 1.00 0.00 H new ATOM 0 HB3 ASP A 790 13.516 -0.771 -6.873 1.00 0.00 H new ATOM 1170 N TYR A 791 11.504 -1.709 -4.289 1.00 0.00 N ATOM 1171 CA TYR A 791 10.182 -2.244 -4.045 1.00 0.00 C ATOM 1172 C TYR A 791 9.128 -1.364 -4.676 1.00 0.00 C ATOM 1173 O TYR A 791 9.305 -0.157 -4.796 1.00 0.00 O ATOM 1174 CB TYR A 791 9.919 -2.345 -2.542 1.00 0.00 C ATOM 1175 CG TYR A 791 10.854 -3.285 -1.826 1.00 0.00 C ATOM 1176 CD1 TYR A 791 12.095 -2.853 -1.385 1.00 0.00 C ATOM 1177 CD2 TYR A 791 10.497 -4.605 -1.601 1.00 0.00 C ATOM 1178 CE1 TYR A 791 12.961 -3.716 -0.740 1.00 0.00 C ATOM 1179 CE2 TYR A 791 11.352 -5.470 -0.953 1.00 0.00 C ATOM 1180 CZ TYR A 791 12.582 -5.024 -0.527 1.00 0.00 C ATOM 1181 OH TYR A 791 13.436 -5.896 0.105 1.00 0.00 O ATOM 0 H TYR A 791 11.640 -0.757 -3.949 1.00 0.00 H new ATOM 0 HA TYR A 791 10.132 -3.238 -4.490 1.00 0.00 H new ATOM 0 HB2 TYR A 791 10.006 -1.353 -2.099 1.00 0.00 H new ATOM 0 HB3 TYR A 791 8.893 -2.676 -2.383 1.00 0.00 H new ATOM 0 HD1 TYR A 791 12.390 -1.827 -1.548 1.00 0.00 H new ATOM 0 HD2 TYR A 791 9.535 -4.961 -1.938 1.00 0.00 H new ATOM 0 HE1 TYR A 791 13.927 -3.368 -0.406 1.00 0.00 H new ATOM 0 HE2 TYR A 791 11.058 -6.495 -0.780 1.00 0.00 H new ATOM 0 HH TYR A 791 13.395 -6.771 -0.335 1.00 0.00 H new ATOM 1191 N ILE A 792 8.042 -1.971 -5.091 1.00 0.00 N ATOM 1192 CA ILE A 792 6.901 -1.234 -5.567 1.00 0.00 C ATOM 1193 C ILE A 792 5.679 -1.647 -4.774 1.00 0.00 C ATOM 1194 O ILE A 792 5.253 -2.798 -4.811 1.00 0.00 O ATOM 1195 CB ILE A 792 6.681 -1.443 -7.075 1.00 0.00 C ATOM 1196 CG1 ILE A 792 7.833 -0.809 -7.852 1.00 0.00 C ATOM 1197 CG2 ILE A 792 5.358 -0.831 -7.506 1.00 0.00 C ATOM 1198 CD1 ILE A 792 8.147 -1.503 -9.152 1.00 0.00 C ATOM 0 H ILE A 792 7.926 -2.984 -5.108 1.00 0.00 H new ATOM 0 HA ILE A 792 7.083 -0.169 -5.421 1.00 0.00 H new ATOM 0 HB ILE A 792 6.651 -2.512 -7.286 1.00 0.00 H new ATOM 0 HG12 ILE A 792 7.590 0.233 -8.057 1.00 0.00 H new ATOM 0 HG13 ILE A 792 8.725 -0.811 -7.226 1.00 0.00 H new ATOM 0 HG21 ILE A 792 5.216 -0.987 -8.575 1.00 0.00 H new ATOM 0 HG22 ILE A 792 4.543 -1.305 -6.959 1.00 0.00 H new ATOM 0 HG23 ILE A 792 5.365 0.238 -7.293 1.00 0.00 H new ATOM 0 HD11 ILE A 792 8.976 -0.995 -9.645 1.00 0.00 H new ATOM 0 HD12 ILE A 792 8.423 -2.539 -8.954 1.00 0.00 H new ATOM 0 HD13 ILE A 792 7.270 -1.478 -9.799 1.00 0.00 H new ATOM 1210 N LEU A 793 5.152 -0.710 -4.017 1.00 0.00 N ATOM 1211 CA LEU A 793 3.987 -0.964 -3.212 1.00 0.00 C ATOM 1212 C LEU A 793 2.752 -0.777 -4.072 1.00 0.00 C ATOM 1213 O LEU A 793 2.470 0.317 -4.558 1.00 0.00 O ATOM 1214 CB LEU A 793 3.967 -0.037 -1.997 1.00 0.00 C ATOM 1215 CG LEU A 793 2.820 -0.230 -1.010 1.00 0.00 C ATOM 1216 CD1 LEU A 793 2.269 -1.630 -1.069 1.00 0.00 C ATOM 1217 CD2 LEU A 793 3.282 0.148 0.388 1.00 0.00 C ATOM 0 H LEU A 793 5.518 0.239 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 793 4.007 -1.987 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 793 4.906 -0.162 -1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 793 3.940 0.992 -2.354 1.00 0.00 H new ATOM 0 HG LEU A 793 1.999 0.430 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 793 1.454 -1.731 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 793 1.897 -1.832 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 793 3.057 -2.342 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 793 2.462 0.010 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 793 4.120 -0.486 0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 793 3.596 1.192 0.398 1.00 0.00 H new ATOM 1229 N SER A 794 2.042 -1.863 -4.254 1.00 0.00 N ATOM 1230 CA SER A 794 0.896 -1.908 -5.133 1.00 0.00 C ATOM 1231 C SER A 794 -0.271 -2.538 -4.395 1.00 0.00 C ATOM 1232 O SER A 794 -0.080 -3.214 -3.384 1.00 0.00 O ATOM 1233 CB SER A 794 1.234 -2.724 -6.381 1.00 0.00 C ATOM 1234 OG SER A 794 2.391 -2.210 -7.019 1.00 0.00 O ATOM 0 H SER A 794 2.244 -2.750 -3.792 1.00 0.00 H new ATOM 0 HA SER A 794 0.626 -0.897 -5.439 1.00 0.00 H new ATOM 0 HB2 SER A 794 1.397 -3.766 -6.107 1.00 0.00 H new ATOM 0 HB3 SER A 794 0.392 -2.704 -7.073 1.00 0.00 H new ATOM 0 HG SER A 794 2.592 -2.747 -7.814 1.00 0.00 H new ATOM 1240 N LEU A 795 -1.470 -2.322 -4.891 1.00 0.00 N ATOM 1241 CA LEU A 795 -2.662 -2.820 -4.235 1.00 0.00 C ATOM 1242 C LEU A 795 -2.978 -4.235 -4.687 1.00 0.00 C ATOM 1243 O LEU A 795 -2.704 -4.609 -5.829 1.00 0.00 O ATOM 1244 CB LEU A 795 -3.833 -1.915 -4.558 1.00 0.00 C ATOM 1245 CG LEU A 795 -3.571 -0.427 -4.393 1.00 0.00 C ATOM 1246 CD1 LEU A 795 -4.823 0.341 -4.739 1.00 0.00 C ATOM 1247 CD2 LEU A 795 -3.099 -0.110 -2.980 1.00 0.00 C ATOM 0 H LEU A 795 -1.647 -1.802 -5.751 1.00 0.00 H new ATOM 0 HA LEU A 795 -2.485 -2.831 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 795 -4.141 -2.101 -5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 795 -4.672 -2.192 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 795 -2.774 -0.125 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 795 -4.639 1.409 -4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 795 -5.104 0.132 -5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 795 -5.632 0.037 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 795 -2.919 0.961 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 795 -3.864 -0.412 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 795 -2.176 -0.652 -2.774 1.00 0.00 H new ATOM 1259 N VAL A 796 -3.555 -5.018 -3.788 1.00 0.00 N ATOM 1260 CA VAL A 796 -3.928 -6.386 -4.103 1.00 0.00 C ATOM 1261 C VAL A 796 -5.428 -6.511 -4.291 1.00 0.00 C ATOM 1262 O VAL A 796 -5.897 -6.922 -5.353 1.00 0.00 O ATOM 1263 CB VAL A 796 -3.469 -7.360 -2.998 1.00 0.00 C ATOM 1264 CG1 VAL A 796 -3.999 -8.766 -3.248 1.00 0.00 C ATOM 1265 CG2 VAL A 796 -1.966 -7.368 -2.950 1.00 0.00 C ATOM 0 H VAL A 796 -3.775 -4.728 -2.835 1.00 0.00 H new ATOM 0 HA VAL A 796 -3.427 -6.649 -5.035 1.00 0.00 H new ATOM 0 HB VAL A 796 -3.868 -7.025 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 796 -3.659 -9.430 -2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 796 -5.089 -8.747 -3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 796 -3.629 -9.129 -4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 796 -1.630 -8.054 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 796 -1.573 -7.692 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 796 -1.604 -6.364 -2.730 1.00 0.00 H new ATOM 1275 N SER A 797 -6.175 -6.103 -3.280 1.00 0.00 N ATOM 1276 CA SER A 797 -7.607 -6.308 -3.275 1.00 0.00 C ATOM 1277 C SER A 797 -8.226 -5.667 -2.039 1.00 0.00 C ATOM 1278 O SER A 797 -7.551 -5.492 -1.028 1.00 0.00 O ATOM 1279 CB SER A 797 -7.893 -7.811 -3.297 1.00 0.00 C ATOM 1280 OG SER A 797 -7.405 -8.443 -2.120 1.00 0.00 O ATOM 0 H SER A 797 -5.811 -5.628 -2.454 1.00 0.00 H new ATOM 0 HA SER A 797 -8.048 -5.842 -4.156 1.00 0.00 H new ATOM 0 HB2 SER A 797 -8.966 -7.979 -3.385 1.00 0.00 H new ATOM 0 HB3 SER A 797 -7.427 -8.260 -4.174 1.00 0.00 H new ATOM 0 HG SER A 797 -7.602 -9.402 -2.158 1.00 0.00 H new ATOM 1286 N ILE A 798 -9.491 -5.300 -2.123 1.00 0.00 N ATOM 1287 CA ILE A 798 -10.191 -4.736 -0.981 1.00 0.00 C ATOM 1288 C ILE A 798 -11.482 -5.509 -0.753 1.00 0.00 C ATOM 1289 O ILE A 798 -11.920 -6.239 -1.627 1.00 0.00 O ATOM 1290 CB ILE A 798 -10.487 -3.233 -1.188 1.00 0.00 C ATOM 1291 CG1 ILE A 798 -10.827 -2.554 0.137 1.00 0.00 C ATOM 1292 CG2 ILE A 798 -11.631 -3.058 -2.169 1.00 0.00 C ATOM 1293 CD1 ILE A 798 -10.627 -1.056 0.112 1.00 0.00 C ATOM 0 H ILE A 798 -10.056 -5.382 -2.969 1.00 0.00 H new ATOM 0 HA ILE A 798 -9.553 -4.823 -0.101 1.00 0.00 H new ATOM 0 HB ILE A 798 -9.591 -2.762 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 798 -11.864 -2.770 0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 798 -10.209 -2.983 0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 798 -11.832 -1.996 -2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 798 -11.361 -3.505 -3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 798 -12.523 -3.548 -1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 798 -10.887 -0.638 1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 798 -9.584 -0.832 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 798 -11.266 -0.616 -0.654 1.00 0.00 H new ATOM 1305 N LYS A 799 -12.082 -5.359 0.409 1.00 0.00 N ATOM 1306 CA LYS A 799 -13.271 -6.123 0.744 1.00 0.00 C ATOM 1307 C LYS A 799 -14.360 -5.224 1.285 1.00 0.00 C ATOM 1308 O LYS A 799 -14.170 -4.545 2.293 1.00 0.00 O ATOM 1309 CB LYS A 799 -12.916 -7.170 1.775 1.00 0.00 C ATOM 1310 CG LYS A 799 -14.067 -7.997 2.301 1.00 0.00 C ATOM 1311 CD LYS A 799 -13.693 -8.596 3.646 1.00 0.00 C ATOM 1312 CE LYS A 799 -14.341 -9.943 3.847 1.00 0.00 C ATOM 1313 NZ LYS A 799 -13.869 -10.619 5.082 1.00 0.00 N ATOM 0 H LYS A 799 -11.769 -4.717 1.138 1.00 0.00 H new ATOM 0 HA LYS A 799 -13.644 -6.602 -0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 799 -12.178 -7.845 1.340 1.00 0.00 H new ATOM 0 HB3 LYS A 799 -12.436 -6.673 2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 799 -14.957 -7.376 2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 799 -14.311 -8.790 1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 799 -12.610 -8.698 3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 799 -13.999 -7.920 4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 799 -15.423 -9.819 3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 799 -14.130 -10.577 2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 799 -14.343 -11.540 5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 799 -12.840 -10.762 5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 799 -14.093 -10.029 5.908 1.00 0.00 H new ATOM 1327 N ASP A 800 -15.485 -5.218 0.604 1.00 0.00 N ATOM 1328 CA ASP A 800 -16.660 -4.510 1.077 1.00 0.00 C ATOM 1329 C ASP A 800 -17.210 -5.214 2.306 1.00 0.00 C ATOM 1330 O ASP A 800 -17.015 -6.418 2.471 1.00 0.00 O ATOM 1331 CB ASP A 800 -17.726 -4.447 -0.018 1.00 0.00 C ATOM 1332 CG ASP A 800 -19.045 -3.896 0.488 1.00 0.00 C ATOM 1333 OD1 ASP A 800 -20.029 -4.661 0.539 1.00 0.00 O ATOM 1334 OD2 ASP A 800 -19.097 -2.710 0.865 1.00 0.00 O ATOM 0 H ASP A 800 -15.614 -5.699 -0.286 1.00 0.00 H new ATOM 0 HA ASP A 800 -16.381 -3.489 1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -17.365 -3.824 -0.836 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -17.885 -5.446 -0.424 1.00 0.00 H new ATOM 1339 N SER A 801 -17.914 -4.452 3.140 1.00 0.00 N ATOM 1340 CA SER A 801 -18.353 -4.896 4.459 1.00 0.00 C ATOM 1341 C SER A 801 -19.249 -6.137 4.405 1.00 0.00 C ATOM 1342 O SER A 801 -19.483 -6.777 5.431 1.00 0.00 O ATOM 1343 CB SER A 801 -19.097 -3.753 5.143 1.00 0.00 C ATOM 1344 OG SER A 801 -18.358 -2.546 5.048 1.00 0.00 O ATOM 0 H SER A 801 -18.198 -3.498 2.916 1.00 0.00 H new ATOM 0 HA SER A 801 -17.464 -5.176 5.024 1.00 0.00 H new ATOM 0 HB2 SER A 801 -20.076 -3.623 4.682 1.00 0.00 H new ATOM 0 HB3 SER A 801 -19.268 -3.999 6.191 1.00 0.00 H new ATOM 0 HG SER A 801 -17.401 -2.741 5.132 1.00 0.00 H new ATOM 1350 N THR A 802 -19.741 -6.480 3.222 1.00 0.00 N ATOM 1351 CA THR A 802 -20.586 -7.653 3.061 1.00 0.00 C ATOM 1352 C THR A 802 -19.739 -8.861 2.668 1.00 0.00 C ATOM 1353 O THR A 802 -20.241 -9.973 2.509 1.00 0.00 O ATOM 1354 CB THR A 802 -21.672 -7.411 1.997 1.00 0.00 C ATOM 1355 OG1 THR A 802 -21.064 -7.021 0.757 1.00 0.00 O ATOM 1356 CG2 THR A 802 -22.641 -6.330 2.451 1.00 0.00 C ATOM 0 H THR A 802 -19.569 -5.962 2.360 1.00 0.00 H new ATOM 0 HA THR A 802 -21.076 -7.849 4.015 1.00 0.00 H new ATOM 0 HB THR A 802 -22.226 -8.339 1.856 1.00 0.00 H new ATOM 0 HG1 THR A 802 -20.969 -6.046 0.732 1.00 0.00 H new ATOM 0 HG21 THR A 802 -23.400 -6.176 1.684 1.00 0.00 H new ATOM 0 HG22 THR A 802 -23.121 -6.639 3.379 1.00 0.00 H new ATOM 0 HG23 THR A 802 -22.097 -5.400 2.616 1.00 0.00 H new ATOM 1364 N GLY A 803 -18.444 -8.619 2.534 1.00 0.00 N ATOM 1365 CA GLY A 803 -17.518 -9.640 2.104 1.00 0.00 C ATOM 1366 C GLY A 803 -17.446 -9.730 0.601 1.00 0.00 C ATOM 1367 O GLY A 803 -17.524 -10.816 0.027 1.00 0.00 O ATOM 0 H GLY A 803 -18.013 -7.713 2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 803 -16.527 -9.424 2.504 1.00 0.00 H new ATOM 0 HA3 GLY A 803 -17.823 -10.603 2.512 1.00 0.00 H new ATOM 1371 N CYS A 804 -17.322 -8.580 -0.042 1.00 0.00 N ATOM 1372 CA CYS A 804 -17.189 -8.537 -1.491 1.00 0.00 C ATOM 1373 C CYS A 804 -15.836 -7.953 -1.872 1.00 0.00 C ATOM 1374 O CYS A 804 -15.587 -6.766 -1.671 1.00 0.00 O ATOM 1375 CB CYS A 804 -18.323 -7.721 -2.112 1.00 0.00 C ATOM 1376 SG CYS A 804 -19.973 -8.314 -1.675 1.00 0.00 S ATOM 0 H CYS A 804 -17.311 -7.667 0.413 1.00 0.00 H new ATOM 0 HA CYS A 804 -17.253 -9.554 -1.879 1.00 0.00 H new ATOM 0 HB2 CYS A 804 -18.225 -6.682 -1.797 1.00 0.00 H new ATOM 0 HB3 CYS A 804 -18.217 -7.736 -3.197 1.00 0.00 H new ATOM 0 HG CYS A 804 -20.253 -7.959 -0.456 1.00 0.00 H new ATOM 1382 N VAL A 805 -14.963 -8.785 -2.416 1.00 0.00 N ATOM 1383 CA VAL A 805 -13.606 -8.361 -2.724 1.00 0.00 C ATOM 1384 C VAL A 805 -13.539 -7.691 -4.100 1.00 0.00 C ATOM 1385 O VAL A 805 -14.119 -8.171 -5.074 1.00 0.00 O ATOM 1386 CB VAL A 805 -12.613 -9.549 -2.653 1.00 0.00 C ATOM 1387 CG1 VAL A 805 -12.972 -10.634 -3.652 1.00 0.00 C ATOM 1388 CG2 VAL A 805 -11.183 -9.081 -2.867 1.00 0.00 C ATOM 0 H VAL A 805 -15.168 -9.756 -2.653 1.00 0.00 H new ATOM 0 HA VAL A 805 -13.314 -7.630 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 805 -12.689 -9.975 -1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 805 -12.255 -11.451 -3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 805 -13.973 -11.008 -3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 805 -12.946 -10.223 -4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 805 -10.508 -9.935 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 805 -11.096 -8.613 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 805 -10.917 -8.359 -2.095 1.00 0.00 H new ATOM 1398 N VAL A 806 -12.863 -6.556 -4.153 1.00 0.00 N ATOM 1399 CA VAL A 806 -12.679 -5.813 -5.388 1.00 0.00 C ATOM 1400 C VAL A 806 -11.218 -5.851 -5.805 1.00 0.00 C ATOM 1401 O VAL A 806 -10.320 -5.654 -4.980 1.00 0.00 O ATOM 1402 CB VAL A 806 -13.130 -4.340 -5.237 1.00 0.00 C ATOM 1403 CG1 VAL A 806 -12.818 -3.538 -6.493 1.00 0.00 C ATOM 1404 CG2 VAL A 806 -14.612 -4.266 -4.928 1.00 0.00 C ATOM 0 H VAL A 806 -12.426 -6.123 -3.340 1.00 0.00 H new ATOM 0 HA VAL A 806 -13.296 -6.285 -6.153 1.00 0.00 H new ATOM 0 HB VAL A 806 -12.574 -3.905 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 806 -13.146 -2.507 -6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 806 -11.744 -3.556 -6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 806 -13.340 -3.976 -7.344 1.00 0.00 H new ATOM 0 HG21 VAL A 806 -14.911 -3.223 -4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 806 -15.176 -4.727 -5.739 1.00 0.00 H new ATOM 0 HG23 VAL A 806 -14.816 -4.795 -3.997 1.00 0.00 H new ATOM 1414 N GLY A 807 -10.993 -6.126 -7.079 1.00 0.00 N ATOM 1415 CA GLY A 807 -9.649 -6.130 -7.619 1.00 0.00 C ATOM 1416 C GLY A 807 -9.085 -4.730 -7.699 1.00 0.00 C ATOM 1417 O GLY A 807 -9.570 -3.902 -8.473 1.00 0.00 O ATOM 0 H GLY A 807 -11.724 -6.349 -7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -9.005 -6.748 -6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -9.655 -6.579 -8.612 1.00 0.00 H new ATOM 1421 N LEU A 808 -8.068 -4.463 -6.903 1.00 0.00 N ATOM 1422 CA LEU A 808 -7.544 -3.117 -6.774 1.00 0.00 C ATOM 1423 C LEU A 808 -6.593 -2.755 -7.899 1.00 0.00 C ATOM 1424 O LEU A 808 -5.671 -3.505 -8.223 1.00 0.00 O ATOM 1425 CB LEU A 808 -6.851 -2.949 -5.432 1.00 0.00 C ATOM 1426 CG LEU A 808 -7.769 -3.062 -4.227 1.00 0.00 C ATOM 1427 CD1 LEU A 808 -7.031 -2.688 -2.959 1.00 0.00 C ATOM 1428 CD2 LEU A 808 -9.001 -2.214 -4.427 1.00 0.00 C ATOM 0 H LEU A 808 -7.588 -5.161 -6.335 1.00 0.00 H new ATOM 0 HA LEU A 808 -8.393 -2.436 -6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -6.067 -3.701 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -6.362 -1.975 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 808 -8.092 -4.098 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -7.705 -2.775 -2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -6.183 -3.358 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -6.674 -1.661 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -9.650 -2.304 -3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -8.708 -1.172 -4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -9.536 -2.553 -5.315 1.00 0.00 H new ATOM 1440 N SER A 809 -6.837 -1.603 -8.502 1.00 0.00 N ATOM 1441 CA SER A 809 -5.943 -1.061 -9.504 1.00 0.00 C ATOM 1442 C SER A 809 -5.973 0.465 -9.463 1.00 0.00 C ATOM 1443 O SER A 809 -6.739 1.110 -10.183 1.00 0.00 O ATOM 1444 CB SER A 809 -6.337 -1.568 -10.894 1.00 0.00 C ATOM 1445 OG SER A 809 -6.340 -2.988 -10.937 1.00 0.00 O ATOM 0 H SER A 809 -7.654 -1.024 -8.311 1.00 0.00 H new ATOM 0 HA SER A 809 -4.928 -1.395 -9.289 1.00 0.00 H new ATOM 0 HB2 SER A 809 -7.326 -1.191 -11.156 1.00 0.00 H new ATOM 0 HB3 SER A 809 -5.641 -1.180 -11.637 1.00 0.00 H new ATOM 0 HG SER A 809 -6.596 -3.288 -11.834 1.00 0.00 H new ATOM 1451 N GLN A 810 -5.143 1.023 -8.595 1.00 0.00 N ATOM 1452 CA GLN A 810 -4.943 2.466 -8.500 1.00 0.00 C ATOM 1453 C GLN A 810 -3.435 2.741 -8.383 1.00 0.00 C ATOM 1454 O GLN A 810 -2.661 1.783 -8.302 1.00 0.00 O ATOM 1455 CB GLN A 810 -5.739 3.047 -7.316 1.00 0.00 C ATOM 1456 CG GLN A 810 -7.243 3.079 -7.557 1.00 0.00 C ATOM 1457 CD GLN A 810 -8.011 3.895 -6.527 1.00 0.00 C ATOM 1458 OE1 GLN A 810 -7.613 4.015 -5.380 1.00 0.00 O ATOM 1459 NE2 GLN A 810 -9.131 4.461 -6.933 1.00 0.00 N ATOM 0 H GLN A 810 -4.584 0.486 -7.931 1.00 0.00 H new ATOM 0 HA GLN A 810 -5.319 2.962 -9.395 1.00 0.00 H new ATOM 0 HB2 GLN A 810 -5.534 2.455 -6.424 1.00 0.00 H new ATOM 0 HB3 GLN A 810 -5.389 4.059 -7.114 1.00 0.00 H new ATOM 0 HG2 GLN A 810 -7.434 3.489 -8.549 1.00 0.00 H new ATOM 0 HG3 GLN A 810 -7.624 2.058 -7.556 1.00 0.00 H new ATOM 0 HE21 GLN A 810 -9.441 4.344 -7.898 1.00 0.00 H new ATOM 0 HE22 GLN A 810 -9.687 5.015 -6.282 1.00 0.00 H new ATOM 1468 N PRO A 811 -2.983 4.018 -8.419 1.00 0.00 N ATOM 1469 CA PRO A 811 -1.548 4.356 -8.371 1.00 0.00 C ATOM 1470 C PRO A 811 -0.745 3.592 -7.310 1.00 0.00 C ATOM 1471 O PRO A 811 -1.200 3.385 -6.184 1.00 0.00 O ATOM 1472 CB PRO A 811 -1.559 5.844 -8.051 1.00 0.00 C ATOM 1473 CG PRO A 811 -2.807 6.346 -8.684 1.00 0.00 C ATOM 1474 CD PRO A 811 -3.813 5.235 -8.556 1.00 0.00 C ATOM 0 HA PRO A 811 -1.057 4.087 -9.306 1.00 0.00 H new ATOM 0 HB2 PRO A 811 -1.560 6.020 -6.975 1.00 0.00 H new ATOM 0 HB3 PRO A 811 -0.679 6.344 -8.455 1.00 0.00 H new ATOM 0 HG2 PRO A 811 -3.159 7.250 -8.188 1.00 0.00 H new ATOM 0 HG3 PRO A 811 -2.638 6.601 -9.730 1.00 0.00 H new ATOM 0 HD2 PRO A 811 -4.458 5.378 -7.689 1.00 0.00 H new ATOM 0 HD3 PRO A 811 -4.461 5.180 -9.431 1.00 0.00 H new ATOM 1482 N ASP A 812 0.460 3.187 -7.701 1.00 0.00 N ATOM 1483 CA ASP A 812 1.381 2.454 -6.830 1.00 0.00 C ATOM 1484 C ASP A 812 2.587 3.322 -6.485 1.00 0.00 C ATOM 1485 O ASP A 812 2.819 4.359 -7.109 1.00 0.00 O ATOM 1486 CB ASP A 812 1.857 1.160 -7.498 1.00 0.00 C ATOM 1487 CG ASP A 812 2.371 1.370 -8.907 1.00 0.00 C ATOM 1488 OD1 ASP A 812 1.569 1.244 -9.859 1.00 0.00 O ATOM 1489 OD2 ASP A 812 3.572 1.665 -9.073 1.00 0.00 O ATOM 0 H ASP A 812 0.830 3.358 -8.636 1.00 0.00 H new ATOM 0 HA ASP A 812 0.845 2.198 -5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 812 2.647 0.715 -6.893 1.00 0.00 H new ATOM 0 HB3 ASP A 812 1.033 0.446 -7.521 1.00 0.00 H new ATOM 1494 N ALA A 813 3.348 2.895 -5.489 1.00 0.00 N ATOM 1495 CA ALA A 813 4.513 3.651 -5.026 1.00 0.00 C ATOM 1496 C ALA A 813 5.787 2.852 -5.254 1.00 0.00 C ATOM 1497 O ALA A 813 5.749 1.630 -5.294 1.00 0.00 O ATOM 1498 CB ALA A 813 4.385 3.995 -3.552 1.00 0.00 C ATOM 0 H ALA A 813 3.183 2.026 -4.981 1.00 0.00 H new ATOM 0 HA ALA A 813 4.561 4.577 -5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 813 5.263 4.556 -3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 813 3.491 4.599 -3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 813 4.309 3.077 -2.969 1.00 0.00 H new ATOM 1504 N LYS A 814 6.910 3.532 -5.394 1.00 0.00 N ATOM 1505 CA LYS A 814 8.175 2.852 -5.567 1.00 0.00 C ATOM 1506 C LYS A 814 9.137 3.222 -4.446 1.00 0.00 C ATOM 1507 O LYS A 814 9.640 4.341 -4.383 1.00 0.00 O ATOM 1508 CB LYS A 814 8.784 3.186 -6.924 1.00 0.00 C ATOM 1509 CG LYS A 814 9.823 2.173 -7.359 1.00 0.00 C ATOM 1510 CD LYS A 814 10.370 2.469 -8.748 1.00 0.00 C ATOM 1511 CE LYS A 814 11.134 3.782 -8.789 1.00 0.00 C ATOM 1512 NZ LYS A 814 11.680 4.062 -10.142 1.00 0.00 N ATOM 0 H LYS A 814 6.970 4.550 -5.391 1.00 0.00 H new ATOM 0 HA LYS A 814 7.994 1.778 -5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 814 7.993 3.234 -7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 814 9.241 4.175 -6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 814 10.643 2.166 -6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 814 9.382 1.176 -7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 814 11.027 1.657 -9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 814 9.547 2.505 -9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 814 10.474 4.596 -8.488 1.00 0.00 H new ATOM 0 HE3 LYS A 814 11.950 3.750 -8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 12.194 4.966 -10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 12.329 3.298 -10.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 10.899 4.118 -10.827 1.00 0.00 H new ATOM 1526 N ILE A 815 9.380 2.268 -3.569 1.00 0.00 N ATOM 1527 CA ILE A 815 10.258 2.458 -2.427 1.00 0.00 C ATOM 1528 C ILE A 815 11.637 1.915 -2.753 1.00 0.00 C ATOM 1529 O ILE A 815 11.784 0.750 -3.109 1.00 0.00 O ATOM 1530 CB ILE A 815 9.733 1.732 -1.166 1.00 0.00 C ATOM 1531 CG1 ILE A 815 8.321 2.202 -0.802 1.00 0.00 C ATOM 1532 CG2 ILE A 815 10.680 1.944 0.003 1.00 0.00 C ATOM 1533 CD1 ILE A 815 7.228 1.504 -1.581 1.00 0.00 C ATOM 0 H ILE A 815 8.973 1.334 -3.627 1.00 0.00 H new ATOM 0 HA ILE A 815 10.297 3.527 -2.220 1.00 0.00 H new ATOM 0 HB ILE A 815 9.685 0.666 -1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 815 8.157 2.039 0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 815 8.249 3.276 -0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 815 10.295 1.426 0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 815 11.664 1.548 -0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 815 10.762 3.010 0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 815 6.257 1.888 -1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 815 7.366 1.688 -2.646 1.00 0.00 H new ATOM 0 HD13 ILE A 815 7.272 0.432 -1.389 1.00 0.00 H new ATOM 1545 N GLN A 816 12.642 2.751 -2.634 1.00 0.00 N ATOM 1546 CA GLN A 816 13.998 2.336 -2.923 1.00 0.00 C ATOM 1547 C GLN A 816 14.849 2.466 -1.662 1.00 0.00 C ATOM 1548 O GLN A 816 15.214 3.568 -1.259 1.00 0.00 O ATOM 1549 CB GLN A 816 14.555 3.201 -4.037 1.00 0.00 C ATOM 1550 CG GLN A 816 15.594 2.505 -4.893 1.00 0.00 C ATOM 1551 CD GLN A 816 16.901 2.253 -4.172 1.00 0.00 C ATOM 1552 OE1 GLN A 816 17.785 3.106 -4.146 1.00 0.00 O ATOM 1553 NE2 GLN A 816 17.043 1.070 -3.604 1.00 0.00 N ATOM 0 H GLN A 816 12.548 3.723 -2.339 1.00 0.00 H new ATOM 0 HA GLN A 816 14.012 1.295 -3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 816 13.734 3.529 -4.674 1.00 0.00 H new ATOM 0 HB3 GLN A 816 14.998 4.097 -3.602 1.00 0.00 H new ATOM 0 HG2 GLN A 816 15.190 1.554 -5.239 1.00 0.00 H new ATOM 0 HG3 GLN A 816 15.788 3.110 -5.779 1.00 0.00 H new ATOM 0 HE21 GLN A 816 16.285 0.389 -3.648 1.00 0.00 H new ATOM 0 HE22 GLN A 816 17.911 0.837 -3.121 1.00 0.00 H new ATOM 1562 N VAL A 817 15.174 1.338 -1.059 1.00 0.00 N ATOM 1563 CA VAL A 817 15.983 1.321 0.159 1.00 0.00 C ATOM 1564 C VAL A 817 17.414 0.974 -0.193 1.00 0.00 C ATOM 1565 O VAL A 817 17.660 0.205 -1.110 1.00 0.00 O ATOM 1566 CB VAL A 817 15.395 0.364 1.239 1.00 0.00 C ATOM 1567 CG1 VAL A 817 14.807 -0.829 0.579 1.00 0.00 C ATOM 1568 CG2 VAL A 817 16.387 -0.036 2.320 1.00 0.00 C ATOM 0 H VAL A 817 14.892 0.415 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 817 15.966 2.316 0.604 1.00 0.00 H new ATOM 0 HB VAL A 817 14.617 0.919 1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 817 14.396 -1.498 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 817 14.013 -0.516 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 817 15.580 -1.351 0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 817 15.900 -0.702 3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 817 17.234 -0.549 1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 817 16.739 0.856 2.839 1.00 0.00 H new ATOM 1578 N ARG A 818 18.358 1.574 0.490 1.00 0.00 N ATOM 1579 CA ARG A 818 19.753 1.364 0.160 1.00 0.00 C ATOM 1580 C ARG A 818 20.523 0.873 1.373 1.00 0.00 C ATOM 1581 O ARG A 818 20.538 1.517 2.417 1.00 0.00 O ATOM 1582 CB ARG A 818 20.365 2.663 -0.367 1.00 0.00 C ATOM 1583 CG ARG A 818 21.659 2.473 -1.139 1.00 0.00 C ATOM 1584 CD ARG A 818 21.422 1.717 -2.433 1.00 0.00 C ATOM 1585 NE ARG A 818 22.618 1.661 -3.271 1.00 0.00 N ATOM 1586 CZ ARG A 818 22.654 1.103 -4.479 1.00 0.00 C ATOM 1587 NH1 ARG A 818 21.559 0.561 -4.997 1.00 0.00 N ATOM 1588 NH2 ARG A 818 23.781 1.097 -5.174 1.00 0.00 N ATOM 0 H ARG A 818 18.192 2.207 1.272 1.00 0.00 H new ATOM 0 HA ARG A 818 19.816 0.601 -0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 818 19.639 3.158 -1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 818 20.551 3.331 0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 818 22.100 3.445 -1.359 1.00 0.00 H new ATOM 0 HG3 ARG A 818 22.376 1.929 -0.524 1.00 0.00 H new ATOM 0 HD2 ARG A 818 21.094 0.703 -2.204 1.00 0.00 H new ATOM 0 HD3 ARG A 818 20.615 2.195 -2.988 1.00 0.00 H new ATOM 0 HE ARG A 818 23.477 2.074 -2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 818 20.686 0.571 -4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 818 21.590 0.134 -5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 818 24.623 1.520 -4.784 1.00 0.00 H new ATOM 0 HH22 ARG A 818 23.807 0.669 -6.100 1.00 0.00 H new